1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile
TL;DR: 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile (CAS 54802-32-3) is a chemical compound with molecular formula C15H19NO2 and molecular weight 245.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)cyclohexane-1-carbonitrile
Also Known As: starbld0015293, 1-(3,4-dimethoxyphenyl)cyclohexane-1-carbonitrile, 1-(3,4-dimethoxy-phenyl)-cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)cyclohexanecarbonitrile, 4-(3,4-dimethoxyphenyl)-4-cyanocyclohexane
| Molecular Formula | C15H19NO2 |
|---|---|
| Molecular Weight | 245.14 g/mol |
| LogP | 3.42928 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.14159 |
| Heavy Atoms | 18 |
| Complexity | 456.05167 |
Chemical Identifiers
| CAS Number | 54802-32-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCCCC2)C#N)OC |
Product Overview
1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile (CAS 54802-32-3), with molecular formula C15H19NO2 and molecular weight 245.14 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile
Property Insights of 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile
The XLogP value of 3.42928 indicates that 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile has 0 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-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile?
The CAS number of 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile is 54802-32-3.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile?
The molecular formula of 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile is C15H19NO2.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile?
The molecular weight of 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile is 245.14 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile?
You can request a quote for 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)cyclohexane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.