Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

TAK-700

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

TAK-700

EINECS N/A
CAS No. 426219-53-6 Density 1.351 g/cm3
PSA 177.50000 LogP 2.50740
Solubility N/A Melting Point N/A
Formula C18H17N3O2 Boiling Point 685.137 °C at 760 mmHg
Molecular Weight 307.3465 Flash Point 368.157 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 426219-53-6 (TAK-700) Hazard Symbols N/A
Synonyms

(2S,3S)-2,3-DIHYDROXY-4-OXO-4-(PHENYLAMINO)BUTANOIC ACID COMPD.WITH6-(6,7-DIHYDRO-7-HYDROXY-5H-PYRROLO[1,2-C]IMIDAZOL-7-YL)-N-METHYL-2-NAPHTHALENECARBOXAMIDE

 

TAK-700 Specification

The TAK-700 has CAS registry number 426219-53-6. This chemical's molecular formula is C18H17N3O2 and molecular weight is 307.3465. What's more, its systematic name is called 6-(7-Hydroxy-6, 7-dihydro-5H-pyrrolo[1, 2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamide.

Physical properties about TAK-700 are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 17; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 87.42 cm3; (15)Molar Volume: 227.566 cm3; (16)Surface Tension: 55.989 dyne/cm; (17)Density: 1.351 g/cm3; (18)Flash Point: 368.157 °C; (19)Enthalpy of Vaporization: 105.53 kJ/mol; (20)Boiling Point: 685.137 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC)c2ccc1cc(ccc1c2)C4(O)c3cncn3CC4
(2) InChI: InChI=1/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)
(3) InChIKey: OZPFIJIOIVJZMN-UHFFFAOYAJ

Post a RFQ

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)

1

What can I do for you?
Get Best Price

Get Best Price for 426219-53-6