![2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide structure](/static/products/3069/306980-74-5.webp)
2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide
TL;DR: 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide (CAS 306980-74-5) is a chemical compound with molecular formula C21H15ClN2OS and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-cyano-4-(2-methylphenyl)sulfanylphenyl]benzamide
Also Known As: Bionet1_002251, 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide, 12K-568S, 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzamide, 2-chloro-N-[3-cyano-4-(2-methylphenyl)sulfanylphenyl]benzamide
| Molecular Formula | C21H15ClN2OS |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 5.9236 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.05936 |
| Heavy Atoms | 26 |
| Complexity | 1010.88806 |
Chemical Identifiers
| CAS Number | 306980-74-5 |
|---|---|
| SMILES | CC1=CC=CC=C1SC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C#N |
Product Overview
2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide (CAS 306980-74-5), with molecular formula C21H15ClN2OS and molecular weight 378.06 g/mol. IUPAC: 2-chloro-N-[3-cyano-4-(2-methylphenyl)sulfanylphenyl]benzamide.
Chemical Property Profile of 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide
Property Insights of 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide
The XLogP value of 5.9236 indicates that 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
The CAS number of 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide is 306980-74-5.
What is the molecular formula of 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
The molecular formula of 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide is C21H15ClN2OS.
What is the molecular weight of 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
The molecular weight of 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide is 378.06 g/mol.
Where can I buy 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
You can request a quote for 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{3-cyano-4-[(2-methylphenyl)sulfanyl]phenyl}benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.