![N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide structure](/static/products/4454/445418-13-3.webp)
N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide
TL;DR: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide (CAS 445418-13-3) is a chemical compound with molecular formula C19H20ClN3O2S and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide
Also Known As: AN-465/41163648, N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide, N-{[3-(butanoylamino)phenyl]carbamothioyl}-3-chloro-4-methylbenzamide, N-[3-({[(3-chloro-4-methylbenzoyl)amino]carbothioyl}amino)phenyl]butanamide
| Molecular Formula | C19H20ClN3O2S |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 4.51382 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.09647 |
| Heavy Atoms | 26 |
| Complexity | 839.284 |
Chemical Identifiers
| CAS Number | 445418-13-3 |
|---|---|
| SMILES | CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Cl |
Product Overview
N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide (CAS 445418-13-3), with molecular formula C19H20ClN3O2S and molecular weight 389.10 g/mol. IUPAC: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide.
Chemical Property Profile of N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide
Property Insights of N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide
The XLogP value of 4.51382 indicates that N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide. Following Lipinski's Rule of Five, N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide has 3 hydrogen bond donor(s) and 3 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-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide?
The CAS number of N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide is 445418-13-3.
What is the molecular formula of N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide?
The molecular formula of N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide is C19H20ClN3O2S.
What is the molecular weight of N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide?
The molecular weight of N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide is 389.10 g/mol.
Where can I buy N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide?
You can request a quote for N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.