AB00685156-01
TL;DR: AB00685156-01 (CAS 477187-58-9) is a chemical compound with molecular formula C21H18ClN3OS and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-chloro-2-methoxyanilino)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00685156-01, F0760-2121, (2E)-3-[(5-chloro-2-methoxyphenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((5-chloro-2-methoxyphenyl)amino)-2-(4-(3,4-dimethylphenyl)thiazol-2-yl)acrylonitrile, (E)-3-(5-chloro-2-methoxyanilino)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H18ClN3OS |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 6.06552 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.0859 |
| Heavy Atoms | 27 |
| Complexity | 1049.8206 |
Chemical Identifiers
| CAS Number | 477187-58-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=CC(=C3)Cl)OC)/C#N)C |
Product Overview
AB00685156-01 (CAS 477187-58-9), with molecular formula C21H18ClN3OS and molecular weight 395.09 g/mol. IUPAC: (E)-3-(5-chloro-2-methoxyanilino)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00685156-01
Property Insights of AB00685156-01
The XLogP value of 6.06552 indicates that AB00685156-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, AB00685156-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00685156-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00685156-01?
The CAS number of AB00685156-01 is 477187-58-9.
What is the molecular formula of AB00685156-01?
The molecular formula of AB00685156-01 is C21H18ClN3OS.
What is the molecular weight of AB00685156-01?
The molecular weight of AB00685156-01 is 395.09 g/mol.
Where can I buy AB00685156-01?
You can request a quote for AB00685156-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685156-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685156-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.