1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea
TL;DR: 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea (CAS 677769-79-8) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea
Also Known As: 1-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea, N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-phenylurea
| Molecular Formula | C19H21N3OS |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 5.16878 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.14053 |
| Heavy Atoms | 24 |
| Complexity | 760.90936 |
Chemical Identifiers
| CAS Number | 677769-79-8 |
|---|---|
| SMILES | CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)NC3=CC=CC=C3 |
Product Overview
1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea (CAS 677769-79-8), with molecular formula C19H21N3OS and molecular weight 339.14 g/mol. IUPAC: 1-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea.
Chemical Property Profile of 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea
Property Insights of 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea
The XLogP value of 5.16878 indicates that 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea 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-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea?
The CAS number of 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea is 677769-79-8.
What is the molecular formula of 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea?
The molecular formula of 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea is C19H21N3OS.
What is the molecular weight of 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea?
The molecular weight of 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea is 339.14 g/mol.
Where can I buy 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea?
You can request a quote for 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.