![N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide structure](/static/products/4777/477709-93-6.webp)
N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide
TL;DR: N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide (CAS 477709-93-6) is a chemical compound with molecular formula C21H14F2N2O3S and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-cyano-4-(4-methoxyphenyl)sulfinylphenyl]-2,6-difluorobenzamide
Also Known As: 1L-504S, N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide, N-[3-cyano-4-(4-methoxybenzenesulfinyl)phenyl]-2,6-difluorobenzamide, N-[3-cyano-4-(4-methoxyphenyl)sulfinylphenyl]-2,6-difluorobenzamide
| Molecular Formula | C21H14F2N2O3S |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 4.26408 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0693 |
| Heavy Atoms | 29 |
| Complexity | 1121.4034 |
Chemical Identifiers
| CAS Number | 477709-93-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)NC(=O)C3=C(C=CC=C3F)F)C#N |
Product Overview
N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide (CAS 477709-93-6), with molecular formula C21H14F2N2O3S and molecular weight 412.07 g/mol. IUPAC: N-[3-cyano-4-(4-methoxyphenyl)sulfinylphenyl]-2,6-difluorobenzamide.
Chemical Property Profile of N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide
Property Insights of N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide
The XLogP value of 4.26408 indicates that N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide. Following Lipinski's Rule of Five, N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide 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 N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide?
The CAS number of N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide is 477709-93-6.
What is the molecular formula of N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide?
The molecular formula of N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide is C21H14F2N2O3S.
What is the molecular weight of N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide?
The molecular weight of N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide is 412.07 g/mol.
Where can I buy N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide?
You can request a quote for N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide 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-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-cyano-4-[(4-methoxyphenyl)sulfinyl]phenyl}-2,6-difluorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.