![N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide structure](/static/products/3069/306980-86-9.webp)
N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide
TL;DR: N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide (CAS 306980-86-9) is a chemical compound with molecular formula C15H11FN2OS and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4-methylsulfanylphenyl)-4-fluorobenzamide
Also Known As: N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzamide, N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide, 12K-582S, N-(3-cyano-4-methylsulfanylphenyl)-4-fluorobenzamide, N-(3-Cyano-4-(methylsulfanyl)phenyl)-4-fluorobenzenecarboxamide
| Molecular Formula | C15H11FN2OS |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 3.67158 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.05762 |
| Heavy Atoms | 20 |
| Complexity | 677.2631 |
Chemical Identifiers
| CAS Number | 306980-86-9 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)F)C#N |
Product Overview
N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide (CAS 306980-86-9), with molecular formula C15H11FN2OS and molecular weight 286.06 g/mol. IUPAC: N-(3-cyano-4-methylsulfanylphenyl)-4-fluorobenzamide.
Chemical Property Profile of N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide
Property Insights of N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide
The XLogP value of 3.67158 indicates that N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide has 1 hydrogen bond donor(s) and 3 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 N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide?
The CAS number of N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide is 306980-86-9.
What is the molecular formula of N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide?
The molecular formula of N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide is C15H11FN2OS.
What is the molecular weight of N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide?
The molecular weight of N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide is 286.06 g/mol.
Where can I buy N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide?
You can request a quote for N-[3-cyano-4-(methylsulfanyl)phenyl]-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-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.