![2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile structure](/static/products/861/861207-14-9.png)
2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile
TL;DR: 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile (CAS 861207-14-9) is a chemical compound with molecular formula C18H13ClN4O2S and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitrobenzonitrile
Also Known As: 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile, 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzonitrile, 1X-0281, 2-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitrobenzonitrile, 2-[2-[2-(3-chlorophenyl)thiazol-4-yl]ethylamino]-5-nitro-benzonitrile
| Molecular Formula | C18H13ClN4O2S |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 4.89798 |
| Topological Polar Surface Area | 91.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.04477 |
| Heavy Atoms | 26 |
| Complexity | 996.8513 |
Chemical Identifiers
| CAS Number | 861207-14-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NC(=CS2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N |
Product Overview
2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile (CAS 861207-14-9), with molecular formula C18H13ClN4O2S and molecular weight 384.04 g/mol. IUPAC: 2-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethylamino]-5-nitrobenzonitrile.
Chemical Property Profile of 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile
Property Insights of 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile
The XLogP value of 4.89798 indicates that 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile 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 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile. Following Lipinski's Rule of Five, 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile has 1 hydrogen bond donor(s) and 6 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 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile?
The CAS number of 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile is 861207-14-9.
What is the molecular formula of 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile?
The molecular formula of 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile is C18H13ClN4O2S.
What is the molecular weight of 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile?
The molecular weight of 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile is 384.04 g/mol.
Where can I buy 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile?
You can request a quote for 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethyl}amino)-5-nitrobenzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.