![4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide structure](/static/products/860/860609-96-7.png)
4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide
TL;DR: 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide (CAS 860609-96-7) is a chemical compound with molecular formula C20H12ClN3OS2 and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]benzamide
Also Known As: 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide, 4-chloro-N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]benzamide, 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenylthiophen-3-yl}benzamide, REGID_for_CID_2765912
| Molecular Formula | C20H12ClN3OS2 |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 5.80816 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.01102 |
| Heavy Atoms | 27 |
| Complexity | 1047.8163 |
Chemical Identifiers
| CAS Number | 860609-96-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=C2NC(=O)C3=CC=C(C=C3)Cl)C#N)SCC#N |
Product Overview
4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide (CAS 860609-96-7), with molecular formula C20H12ClN3OS2 and molecular weight 409.01 g/mol. IUPAC: 4-chloro-N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]benzamide.
Chemical Property Profile of 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide
Property Insights of 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide
The XLogP value of 5.80816 indicates that 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide. Following Lipinski's Rule of Five, 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide 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 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide?
The CAS number of 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide is 860609-96-7.
What is the molecular formula of 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide?
The molecular formula of 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide is C20H12ClN3OS2.
What is the molecular weight of 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide?
The molecular weight of 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide is 409.01 g/mol.
Where can I buy 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide?
You can request a quote for 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.