1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile
TL;DR: 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile (CAS 13225-34-8) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methoxyphenyl)-4-oxocyclohexane-1-carbonitrile
Also Known As: 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile, 1-(3-methoxyphenyl)-4-oxocyclohexane-1-carbonitrile, Cyclohexanecarbonitrile, 1-(3-methoxyphenyl)-4-oxo-, 4-Cyano-4-(3-methoxyphenyl)cyclohexanone, 1-(m-Methoxyphenyl)-4-oxocyclohexanecarbonitrile
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 13225-34-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2(CCC(=O)CC2)C#N |
| InChIKey | PGWABZTWFQGEOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile (CAS 13225-34-8), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: 1-(3-methoxyphenyl)-4-oxocyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile
Property Insights of 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile 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-Methoxyphenyl)-4-oxocyclohexanecarbonitrile?
The CAS number of 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile is 13225-34-8.
What is the molecular formula of 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile?
The molecular formula of 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile is C14H15NO2.
What is the molecular weight of 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile?
The molecular weight of 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile is 229.11 g/mol.
Where can I buy 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile?
You can request a quote for 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxyphenyl)-4-oxocyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.