J3.657.891B
TL;DR: J3.657.891B (CAS 372977-77-0) is a chemical compound with molecular formula C18H11Cl2N3S and molecular weight 371.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: J3.657.891B, 2-[4-(4-Chlorophenyl)thiazole-2-yl]-3-(2-chloroanilino)acrylonitrile, (2E)-3-[(2-chlorophenyl)amino]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((2-chlorophenyl)amino)-2-(4-(4-chlorophenyl)thiazol-2-yl)acrylonitrile, (E)-3-(2-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C18H11Cl2N3S |
|---|---|
| Molecular Weight | 371.01 g/mol |
| LogP | 6.09348 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.00507 |
| Heavy Atoms | 24 |
| Complexity | 923.93695 |
Chemical Identifiers
| CAS Number | 372977-77-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Cl)Cl |
Product Overview
J3.657.891B (CAS 372977-77-0), with molecular formula C18H11Cl2N3S and molecular weight 371.01 g/mol. IUPAC: (E)-3-(2-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of J3.657.891B
Property Insights of J3.657.891B
The XLogP value of 6.09348 indicates that J3.657.891B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, J3.657.891B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.657.891B has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J3.657.891B?
The CAS number of J3.657.891B is 372977-77-0.
What is the molecular formula of J3.657.891B?
The molecular formula of J3.657.891B is C18H11Cl2N3S.
What is the molecular weight of J3.657.891B?
The molecular weight of J3.657.891B is 371.01 g/mol.
Where can I buy J3.657.891B?
You can request a quote for J3.657.891B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.657.891B?
Yes, KEHONG BIO provides custom synthesis services for J3.657.891B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.