1-(4-Methoxyanilino)cyclohexane-1-carbonitrile
TL;DR: 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile (CAS 70441-14-4) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyanilino)cyclohexane-1-carbonitrile
Also Known As: IFLab1_001961, 1-(4-methoxyanilino)cyclohexane-1-carbonitrile, 1-((4-methoxyphenyl)amino)cyclohexanecarbonitrile, 1-[(4-methoxyphenyl)amino]cyclohexane-1-carbonitrile, VU0300162-2
| Molecular Formula | C14H18N2O |
|---|---|
| Molecular Weight | 230.14 g/mol |
| LogP | 3.33358 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.1419 |
| Heavy Atoms | 17 |
| Complexity | 399.22556 |
Chemical Identifiers
| CAS Number | 70441-14-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2(CCCCC2)C#N |
Product Overview
1-(4-Methoxyanilino)cyclohexane-1-carbonitrile (CAS 70441-14-4), with molecular formula C14H18N2O and molecular weight 230.14 g/mol. IUPAC: 1-(4-methoxyanilino)cyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile
Property Insights of 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile
The XLogP value of 3.33358 indicates that 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile has 1 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-(4-Methoxyanilino)cyclohexane-1-carbonitrile?
The CAS number of 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile is 70441-14-4.
What is the molecular formula of 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile?
The molecular formula of 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile is C14H18N2O.
What is the molecular weight of 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile?
The molecular weight of 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile is 230.14 g/mol.
Where can I buy 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile?
You can request a quote for 1-(4-Methoxyanilino)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-(4-Methoxyanilino)cyclohexane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyanilino)cyclohexane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.