1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea
TL;DR: 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea (CAS 197170-95-9) is a chemical compound with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea
Also Known As: AN-329/40316933, 1-(3-chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea, N-(3-chlorophenyl)-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)urea
| Molecular Formula | C16H14ClN3OS |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 4.79598 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0546 |
| Heavy Atoms | 22 |
| Complexity | 763.2368 |
Chemical Identifiers
| CAS Number | 197170-95-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)NC3=CC(=CC=C3)Cl)C#N |
Product Overview
1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea (CAS 197170-95-9), with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea
Property Insights of 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea
The XLogP value of 4.79598 indicates that 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea has 2 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-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea?
The CAS number of 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea is 197170-95-9.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea?
The molecular formula of 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea is C16H14ClN3OS.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea?
The molecular weight of 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea is 331.05 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea?
You can request a quote for 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)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-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.