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4546-72-9

Basic Information
CAS No.: 4546-72-9
Name: N-Benzoyl-2'-deoxy-adenosine
Article Data: 25
Molecular Structure:
Molecular Structure of 4546-72-9 (N-Benzoyl-2'-deoxy-adenosine)
Formula: C17H17N5O4
Molecular Weight: 355.353
Synonyms: Adenosine, N-benzoyl-2-deoxy-;N-Benzoyl-2-deoxyadenosine;N-Benzoyldeoxyadenosine;N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;N-Benzoyl-2-deoxy-adenosine;
EINECS: 224-903-6
Density: 1.61 g/cm3
Melting Point: 120-122°C
Solubility: Soluble in water (slightly), and methanol (20 mg/ml).
Safety: 24/25
PSA: 122.39000
LogP: 0.79230
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    Hangzhou Verychem Science And Technology Co.Ltd was set up in year 2004, in the past 16 years, the company invested two R&D centers in Changzhou and Hangzhou city. It invested two

  • hangzhou verychem science and technology co.ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-571-88162786; 88162786

    Address:F1502, 753 Shenhua road, Hangzhou, China

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  • N-Benzoyl-2'-deoxy-adenosine

  • Casno:

    4546-72-9

    N-Benzoyl-2'-deoxy-adenosine

    Min.Order: 1 Gram

    FOB Price:  USD $ 500.0-500.0

    N-Benzoyl-2'-deoxy-adenosine Application:831589

    PureChems is dedicated to bring high quality and cost effective chemical products and services to our clients. PureChems can provide high purity Natural Products, Research Chemical

  • Pure Chemistry Scientific Inc.

    United States  |  Contact Details

    Business Type:Trading Company

    Tel:+1-857-366-7588

    Address:14905 SW freeway street #232, Sugarland, TX 77478, USA

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  • N-Benzoyl-2'-deoxy-adenosine

  • Casno:

    4546-72-9

    N-Benzoyl-2'-deoxy-adenosine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Prime Molecular Co., Ltd. is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Two R&D centers and two production sites in China, all well-equip

    Prime Molecular Co., Ltd. is an advanced chemical intermediates manufacture with ?two R&D centers and two production sites in China, all well-equipped with dedicated and profession

  • PRIME MOLECULAR CO.,LIMITED

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:0852-0755-61104662

    Address:Hong Kong

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  • FT-0770608

  • Casno:

    4546-72-9

    FT-0770608

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    High Quality Best Price Storage:Store in dry, dark and ventilated place Application:Chemical Synthesis Intermediate

    Finetech Industry Limited is a company in England,which specializing in developing, manufacturing and marketing fine organic compounds and intermediates for the fine chemical and p

  • Finetech Industry Limited

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:86-27-87465837

    Address:wuhan

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Specification

The N-Benzoyl-2'-deoxy-adenosine with the CAS number 4546-72-9 is also called Adenosine, N-benzoyl-2-deoxy-. The IUPAC name is N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide. Its molecular formula is C17H17N5O4. The EINECS registry number is 224-903-6. The product category is Nucleic acids.

The properties of the chemical are: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.73; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 91.6 Å2; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 90.81 cm3; (15)Molar Volume: 220.1 cm3; (16)Polarizability: 36×10-24cm3; (17)Surface Tension: 71.8 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)Nc4ncnc2c4ncn2[C@@H]3O[C@@H]([C@@H](O)C3)CO
(2)InChI: InChI=1/C17H17N5O4/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25)/t11-,12+,13+/m0/s1
(3)InChIKey: PIXHJAPVPCVZSV-YNEHKIRRBQ