AB00685644-01
TL;DR: AB00685644-01 (CAS 683258-02-8) is a chemical compound with molecular formula C19H13ClN4O2S and molecular weight 396.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-chloro-2-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00685644-01, (E)-3-((5-chloro-2-methylphenyl)amino)-2-(4-(4-nitrophenyl)thiazol-2-yl)acrylonitrile, (2E)-3-[(5-chloro-2-methylphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, F1110-0328, (E)-3-(5-chloro-2-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C19H13ClN4O2S |
|---|---|
| Molecular Weight | 396.04 g/mol |
| LogP | 5.6567 |
| Topological Polar Surface Area | 91.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.04477 |
| Heavy Atoms | 27 |
| Complexity | 1068.0588 |
Chemical Identifiers
| CAS Number | 683258-02-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AB00685644-01 (CAS 683258-02-8), with molecular formula C19H13ClN4O2S and molecular weight 396.04 g/mol. IUPAC: (E)-3-(5-chloro-2-methylanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00685644-01
Property Insights of AB00685644-01
The XLogP value of 5.6567 indicates that AB00685644-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685644-01. Following Lipinski's Rule of Five, AB00685644-01 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 AB00685644-01?
The CAS number of AB00685644-01 is 683258-02-8.
What is the molecular formula of AB00685644-01?
The molecular formula of AB00685644-01 is C19H13ClN4O2S.
What is the molecular weight of AB00685644-01?
The molecular weight of AB00685644-01 is 396.04 g/mol.
Where can I buy AB00685644-01?
You can request a quote for AB00685644-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685644-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685644-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.