![3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide structure](/static/products/3337/333739-94-9.webp)
3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide
TL;DR: 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide (CAS 333739-94-9) is a chemical compound with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-[(4-methoxybenzoyl)carbamothioylamino]phenyl]benzamide
Also Known As: BAS 02820286, 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide, 3-chloro-N-[4-[(4-methoxybenzoyl)carbamothioylamino]phenyl]benzamide, 3-Chloro-N-{4-[3-(4-methoxy-benzoyl)-thioureido]-phenyl}-benzamide, 3-chloro-N-[4-({[(4-methoxybenzoyl)amino]carbothioyl}amino)phenyl]benzamide
| Molecular Formula | C22H18ClN3O3S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 4.7277 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.07574 |
| Heavy Atoms | 30 |
| Complexity | 1069.7457 |
Chemical Identifiers
| CAS Number | 333739-94-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide (CAS 333739-94-9), with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol. IUPAC: 3-chloro-N-[4-[(4-methoxybenzoyl)carbamothioylamino]phenyl]benzamide.
Chemical Property Profile of 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide
Property Insights of 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide
The XLogP value of 4.7277 indicates that 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide has 3 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 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide?
The CAS number of 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide is 333739-94-9.
What is the molecular formula of 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide?
The molecular formula of 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide is C22H18ClN3O3S.
What is the molecular weight of 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide?
The molecular weight of 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide is 439.08 g/mol.
Where can I buy 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide?
You can request a quote for 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[4-({[(4-methoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.