1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea
TL;DR: 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea (CAS 496017-62-0) is a chemical compound with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea
Also Known As: 1-(1-benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea, 2-(1-benzothien-3-ylcarbonyl)-N-(3-chlorophenyl)hydrazinecarboxamide, 2-(1-benzothiophen-3-ylcarbonyl)-N-(3-chlorophenyl)hydrazinecarboxamide, benzo[b]thiophen-3-yl-N-{[N-(3-chlorophenyl)carbamoyl]amino}carboxamide
| Molecular Formula | C16H12ClN3O2S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 4.0212 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.03387 |
| Heavy Atoms | 23 |
| Complexity | 878.39764 |
Chemical Identifiers
| CAS Number | 496017-62-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)NNC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea (CAS 496017-62-0), with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol. IUPAC: 1-(1-benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea.
Chemical Property Profile of 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea
Property Insights of 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea
The XLogP value of 4.0212 indicates that 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea 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 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea. Following Lipinski's Rule of Five, 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea 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 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea?
The CAS number of 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea is 496017-62-0.
What is the molecular formula of 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea?
The molecular formula of 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea is C16H12ClN3O2S.
What is the molecular weight of 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea?
The molecular weight of 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea is 345.03 g/mol.
Where can I buy 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea?
You can request a quote for 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzothiophene-3-carbonylamino)-3-(3-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.