![2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide structure](/static/products/4000/400076-19-9.webp)
2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide
TL;DR: 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide (CAS 400076-19-9) is a chemical compound with molecular formula C20H11Cl3N2OS and molecular weight 431.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide
Also Known As: 11K-577S, 2-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide, 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide, 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzamide, 2-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanyl-phenyl]benzamide
| Molecular Formula | C20H11Cl3N2OS |
|---|---|
| Molecular Weight | 431.97 g/mol |
| LogP | 6.92198 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.96576 |
| Heavy Atoms | 27 |
| Complexity | 1043.0828 |
Chemical Identifiers
| CAS Number | 400076-19-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)C#N)SC3=C(C=CC=C3Cl)Cl)Cl |
Product Overview
2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide (CAS 400076-19-9), with molecular formula C20H11Cl3N2OS and molecular weight 431.97 g/mol. IUPAC: 2-chloro-N-[5-cyano-2-(2,6-dichlorophenyl)sulfanylphenyl]benzamide.
Chemical Property Profile of 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide
Property Insights of 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide
The XLogP value of 6.92198 indicates that 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)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-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)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-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide?
The CAS number of 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide is 400076-19-9.
What is the molecular formula of 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide?
The molecular formula of 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide is C20H11Cl3N2OS.
What is the molecular weight of 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide?
The molecular weight of 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide is 431.97 g/mol.
Where can I buy 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide?
You can request a quote for 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)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-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.