![N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide structure](/static/products/642/642958-84-7.png)
N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide (CAS 642958-84-7) is a chemical compound with molecular formula C17H12ClN3O2S2 and molecular weight 389.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-((2-carbamoylphenyl)carbamothioyl)-3-chlorobenzo[b]thiophene-2-carboxamide, N-(2-carbamoylphenyl)-N'-[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamimidothioic acid, N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
| Molecular Formula | C17H12ClN3O2S2 |
|---|---|
| Molecular Weight | 389.01 g/mol |
| LogP | 3.7804 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.00595 |
| Heavy Atoms | 25 |
| Complexity | 1000.47656 |
Chemical Identifiers
| CAS Number | 642958-84-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)N)Cl |
Product Overview
N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide (CAS 642958-84-7), with molecular formula C17H12ClN3O2S2 and molecular weight 389.01 g/mol. IUPAC: N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 3.7804 indicates that N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide 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 N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide is 642958-84-7.
What is the molecular formula of N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide is C17H12ClN3O2S2.
What is the molecular weight of N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide is 389.01 g/mol.
Where can I buy N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-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-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-carbamoylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.