![N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide structure](/static/products/640/640246-21-5.png)
N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide
TL;DR: N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide (CAS 640246-21-5) is a chemical compound with molecular formula C19H15ClN4O2S3 and molecular weight 462.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide, N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide, N-({4-[(acetylcarbamothioyl)amino]phenyl}carbamothioyl)-3-chloro-1-benzothiophene-2-carboxamide, N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
| Molecular Formula | C19H15ClN4O2S3 |
|---|---|
| Molecular Weight | 462.00 g/mol |
| LogP | 4.5144 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.00458 |
| Heavy Atoms | 29 |
| Complexity | 1112.3447 |
Chemical Identifiers
| CAS Number | 640246-21-5 |
|---|---|
| SMILES | CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide (CAS 640246-21-5), with molecular formula C19H15ClN4O2S3 and molecular weight 462.00 g/mol. IUPAC: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide
Property Insights of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide
The XLogP value of 4.5144 indicates that N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide has 4 hydrogen bond donor(s) and 5 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-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide?
The CAS number of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide is 640246-21-5.
What is the molecular formula of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide?
The molecular formula of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide is C19H15ClN4O2S3.
What is the molecular weight of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide?
The molecular weight of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide is 462.00 g/mol.
Where can I buy N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide?
You can request a quote for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.