![3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide structure](/static/products/3069/306980-44-9.webp)
3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide
TL;DR: 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide (CAS 306980-44-9) is a chemical compound with molecular formula C21H14Cl2N2OS and molecular weight 412.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]benzamide
Also Known As: 12K-518S, 3,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]benzamide, 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide, 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzamide
| Molecular Formula | C21H14Cl2N2OS |
|---|---|
| Molecular Weight | 412.02 g/mol |
| LogP | 6.577 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0204 |
| Heavy Atoms | 27 |
| Complexity | 1043.0375 |
Chemical Identifiers
| CAS Number | 306980-44-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)C#N |
Product Overview
3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide (CAS 306980-44-9), with molecular formula C21H14Cl2N2OS and molecular weight 412.02 g/mol. IUPAC: 3,4-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]benzamide.
Chemical Property Profile of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide
Property Insights of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide
The XLogP value of 6.577 indicates that 3,4-dichloro-N-{3-cyano-4-[(4-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, 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dichloro-N-{3-cyano-4-[(4-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 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
The CAS number of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide is 306980-44-9.
What is the molecular formula of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
The molecular formula of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide is C21H14Cl2N2OS.
What is the molecular weight of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
The molecular weight of 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide is 412.02 g/mol.
Where can I buy 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
You can request a quote for 3,4-dichloro-N-{3-cyano-4-[(4-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 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-{3-cyano-4-[(4-methylphenyl)sulfanyl]phenyl}benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.