AB00090649-01
TL;DR: AB00090649-01 (CAS 374544-63-5) is a chemical compound with molecular formula C21H12ClN3O2S and molecular weight 405.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chloroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00090649-01, (E)-3-((4-chlorophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(4-chloroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(4-chlorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile, (2E)-3-[(4-chlorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H12ClN3O2S |
|---|---|
| Molecular Weight | 405.03 g/mol |
| LogP | 5.54648 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.03387 |
| Heavy Atoms | 28 |
| Complexity | 1283.4973 |
Chemical Identifiers
| CAS Number | 374544-63-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/NC4=CC=C(C=C4)Cl)/C#N |
Product Overview
AB00090649-01 (CAS 374544-63-5), with molecular formula C21H12ClN3O2S and molecular weight 405.03 g/mol. IUPAC: (E)-3-(4-chloroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00090649-01
Property Insights of AB00090649-01
The XLogP value of 5.54648 indicates that AB00090649-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00090649-01. Following Lipinski's Rule of Five, AB00090649-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00090649-01?
The CAS number of AB00090649-01 is 374544-63-5.
What is the molecular formula of AB00090649-01?
The molecular formula of AB00090649-01 is C21H12ClN3O2S.
What is the molecular weight of AB00090649-01?
The molecular weight of AB00090649-01 is 405.03 g/mol.
Where can I buy AB00090649-01?
You can request a quote for AB00090649-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090649-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090649-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.