CAS No.850568-62-6,5-BENZYLOXY-1-BOC-INDOLE-2-BORONIC ACID Suppliers

Products Categories

Pharmaceutical (22)
Organic Chemicals (8)
Others (7)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	850568-62-6
Name:	5-BENZYLOXY-1-BOC-INDOLE-2-BORONIC ACID
Article Data:	2

Formula:	C₂₀H₂₂BNO₅
Molecular Weight:	367.209
Synonyms:	[1-[[(1,1-Dimethylethyl)oxy]carbonyl]-5-[(phenylmethyl)oxy]-1H-indol-2-yl]boronicacid;[5-(Benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid;5-Benzyloxy-1-boc-indole-2-boronic acid;1-Boc-5-benzyloxyindole-2-boronic acid;
Density:	1.176 g/cm³
Melting Point:	106-110 °C
Boiling Point:	564.744 °C at 760 mmHg
Flash Point:	295.347 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	80.92000
LogP:	2.68330

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:35 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 850568-62-6

Specification

The systematic name of 1H-Indole-1-carboxylicacid, 2-borono-5-(phenylmethoxy)-, 1-(1,1-dimethylethyl) ester is [5-(benzyloxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid. With the CAS registry number 850568-62-6, it is also named as 1-Boc-5-benzyloxyindole-2-boronic acid. The product's categories are Blocks; Boronic Acids; Indoles Oxindoles. In addition, its molecular formula is C₂₀H₂₂BNO₅ and its molecular weight is 367.2.

The other characteristics of 1H-Indole-1-carboxylicacid, 2-borono-5-(phenylmethoxy)-, 1-(1,1-dimethylethyl) ester can be summarized as: (1)ACD/LogP: 4.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2628; (6)ACD/BCF (pH 7.4): 2082; (7)ACD/KOC (pH 5.5): 9748; (8)ACD/KOC (pH 7.4): 7724; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 80.92 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 101.175 cm³; (15)Molar Volume: 312.246 cm³; (16)Polarizability: 40.109×10^-24cm³; (17)Surface Tension: 42.312 dyne/cm; (18)Density: 1.176 g/cm³; (19)Flash Point: 295.347 °C; (20)Melting Point: 106-110 °C; (21)Enthalpy of Vaporization: 89.262 kJ/mol; (22)Boiling Point: 564.744 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: OB(O)c2cc1cc(ccc1n2C(=O)OC(C)(C)C)OCc3ccccc3
(2)InChI: InChI=1/C20H22BNO5/c1-20(2,3)27-19(23)22-17-10-9-16(11-15(17)12-18(22)21(24)25)26-13-14-7-5-4-6-8-14/h4-12,24-25H,13H2,1-3H3
(3)InChIKey: IQKGFXDPCFAYFP-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-17-10-9-16(11-15(17)12-18(22)21(24)25)26-13-14-7-5-4-6-8-14/h4-12,24-25H,13H2,1-3H3
(5)Std. InChIKey: IQKGFXDPCFAYFP-UHFFFAOYSA-N