![4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile structure](/static/products/866/866155-94-4.png)
4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile
TL;DR: 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile (CAS 866155-94-4) is a chemical compound with molecular formula C11H7Cl2N3S and molecular weight 282.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[(3-chlorophenyl)methylamino]-1,3-thiazole-5-carbonitrile
Also Known As: 4-chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile, 4-chloro-2-[(3-chlorophenyl)methylamino]-1,3-thiazole-5-carbonitrile, 4-chloro-2-{[(3-chlorophenyl)methyl]amino}-1,3-thiazole-5-carbonitrile
| Molecular Formula | C11H7Cl2N3S |
|---|---|
| Molecular Weight | 282.97 g/mol |
| LogP | 3.93368 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.9738 |
| Heavy Atoms | 17 |
| Complexity | 574.3358 |
Chemical Identifiers
| CAS Number | 866155-94-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC2=NC(=C(S2)C#N)Cl |
Product Overview
4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile (CAS 866155-94-4), with molecular formula C11H7Cl2N3S and molecular weight 282.97 g/mol. IUPAC: 4-chloro-2-[(3-chlorophenyl)methylamino]-1,3-thiazole-5-carbonitrile.
Chemical Property Profile of 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile
Property Insights of 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile
The XLogP value of 3.93368 indicates that 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile?
The CAS number of 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile is 866155-94-4.
What is the molecular formula of 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile?
The molecular formula of 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile is C11H7Cl2N3S.
What is the molecular weight of 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile?
The molecular weight of 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile is 282.97 g/mol.
Where can I buy 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile?
You can request a quote for 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-[(3-chlorobenzyl)amino]-1,3-thiazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.