环己基丁腈
TL;DR: 环己基丁腈 (CAS 444110-64-9) is a chemical compound with molecular formula C10H17N and molecular weight 151.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己基丁腈
4-cyclohexylbutanenitrile
Also Known As: Cyclohexanebutyronitrile, 4-cyclohexylbutanenitrile, 2-ethoxy-4-formylphenyl 2,4-dichlorobenzoate, J2.143.740I, 3-(4-chlorophenyl)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)prop-2-en-1-one
| Molecular Formula | C10H17N |
|---|---|
| Molecular Weight | 151.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.1361 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 444110-64-9 |
|---|---|
| SMILES | C1CCC(CC1)CCCC#N |
| InChIKey | IUQQLRKTOFNJPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己基丁腈 (CAS 444110-64-9), with molecular formula C10H17N and molecular weight 151.14 g/mol. IUPAC: 4-cyclohexylbutanenitrile.
Chemical Property Profile of 环己基丁腈
Property Insights of 环己基丁腈
The XLogP value of 3.6 indicates that 环己基丁腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 环己基丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己基丁腈 has 0 hydrogen bond donor(s) and 1 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 环己基丁腈?
The CAS number of 环己基丁腈 is 444110-64-9.
What is the molecular formula of 环己基丁腈?
The molecular formula of 环己基丁腈 is C10H17N.
What is the molecular weight of 环己基丁腈?
The molecular weight of 环己基丁腈 is 151.14 g/mol.
Where can I buy 环己基丁腈?
You can request a quote for 环己基丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己基丁腈?
Yes, KEHONG BIO provides custom synthesis services for 环己基丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.