alpha-Cyclohexylthiophen-3-acetonitrile
TL;DR: alpha-Cyclohexylthiophen-3-acetonitrile (CAS 55504-22-8) is a chemical compound with molecular formula C12H15NS and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexyl-2-thiophen-3-ylacetonitrile
Also Known As: alpha-Cyclohexylthiophen-3-acetonitrile, EINECS 259-677-8, 2-cyclohexyl-2-thiophen-3-ylacetonitrile, 3-Thiopheneacetonitrile,a-cyclohexyl, 3-Thiopheneacetonitrile,a-cyclohexyl-
| Molecular Formula | C12H15NS |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 3.93558 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.09251 |
| Heavy Atoms | 14 |
| Complexity | 303.56277 |
Chemical Identifiers
| CAS Number | 55504-22-8 |
|---|---|
| SMILES | C1CCC(CC1)C(C#N)C2=CSC=C2 |
Product Overview
alpha-Cyclohexylthiophen-3-acetonitrile (CAS 55504-22-8), with molecular formula C12H15NS and molecular weight 205.09 g/mol. IUPAC: 2-cyclohexyl-2-thiophen-3-ylacetonitrile.
Chemical Property Profile of alpha-Cyclohexylthiophen-3-acetonitrile
Property Insights of alpha-Cyclohexylthiophen-3-acetonitrile
The XLogP value of 3.93558 indicates that alpha-Cyclohexylthiophen-3-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, alpha-Cyclohexylthiophen-3-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Cyclohexylthiophen-3-acetonitrile has 0 hydrogen bond donor(s) and 2 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 alpha-Cyclohexylthiophen-3-acetonitrile?
The CAS number of alpha-Cyclohexylthiophen-3-acetonitrile is 55504-22-8.
What is the molecular formula of alpha-Cyclohexylthiophen-3-acetonitrile?
The molecular formula of alpha-Cyclohexylthiophen-3-acetonitrile is C12H15NS.
What is the molecular weight of alpha-Cyclohexylthiophen-3-acetonitrile?
The molecular weight of alpha-Cyclohexylthiophen-3-acetonitrile is 205.09 g/mol.
Where can I buy alpha-Cyclohexylthiophen-3-acetonitrile?
You can request a quote for alpha-Cyclohexylthiophen-3-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyclohexylthiophen-3-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyclohexylthiophen-3-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.