![N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide structure](/static/products/860/860609-93-4.png)
N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide
TL;DR: N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide (CAS 860609-93-4) is a chemical compound with molecular formula C20H12FN3OS2 and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-4-fluorobenzamide
Also Known As: N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide, N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenylthiophen-3-yl}-4-fluorobenzamide, N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-4-fluorobenzamide, N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenyl-3-thienyl]-4-fluoro-benzamide, N-[2-cyano-5-(cyanomethylthio)-4-phenyl-3-thiophenyl]-4-fluorobenzamide
| Molecular Formula | C20H12FN3OS2 |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 5.29386 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.0406 |
| Heavy Atoms | 27 |
| Complexity | 1047.8163 |
Chemical Identifiers
| CAS Number | 860609-93-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=C2NC(=O)C3=CC=C(C=C3)F)C#N)SCC#N |
Product Overview
N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide (CAS 860609-93-4), with molecular formula C20H12FN3OS2 and molecular weight 393.04 g/mol. IUPAC: N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-4-fluorobenzamide.
Chemical Property Profile of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide
Property Insights of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide
The XLogP value of 5.29386 indicates that N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide 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 N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide. Following Lipinski's Rule of Five, N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide 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 N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide?
The CAS number of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide is 860609-93-4.
What is the molecular formula of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide?
The molecular formula of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide is C20H12FN3OS2.
What is the molecular weight of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide?
The molecular weight of N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide is 393.04 g/mol.
Where can I buy N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide?
You can request a quote for N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-cyano-5-[(cyanomethyl)sulfanyl]-4-phenyl-3-thienyl}-4-fluorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.