![1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea structure](/static/products/4449/444932-60-9.webp)
1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea
TL;DR: 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea (CAS 444932-60-9) is a chemical compound with molecular formula C17H13ClN4O4S and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea
Also Known As: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea, 2-({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)-N-(3-methylphenyl)hydrazinecarboxamide, (3-chloro-6-nitrobenzo[b]thiophen-2-yl)-N-{[N-(3-methylphenyl)carbamoyl]amino} carboxamide, 2-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(3-methylphenyl)hydrazinecarboxamide
| Molecular Formula | C17H13ClN4O4S |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 4.23782 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0346 |
| Heavy Atoms | 27 |
| Complexity | 1066.2681 |
Chemical Identifiers
| CAS Number | 444932-60-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea (CAS 444932-60-9), with molecular formula C17H13ClN4O4S and molecular weight 404.03 g/mol. IUPAC: 1-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea.
Chemical Property Profile of 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea
Property Insights of 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea
The XLogP value of 4.23782 indicates that 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea. Following Lipinski's Rule of Five, 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea has 3 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 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
The CAS number of 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea is 444932-60-9.
What is the molecular formula of 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
The molecular formula of 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea is C17H13ClN4O4S.
What is the molecular weight of 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
The molecular weight of 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea is 404.03 g/mol.
Where can I buy 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
You can request a quote for 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-(3-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.