1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile
TL;DR: 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile (CAS 69299-13-4) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-4-hydroxycyclohexane-1-carbonitrile
Also Known As: 1-(3,4-dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile, 1-(3,4-Dimethoxy-phenyl)-4-hydroxy-cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-hydroxycyclohexane-1-carbonitrile
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 69299-13-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCC(CC2)O)C#N)OC |
| InChIKey | DKCJHUGCAQYREQ-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile (CAS 69299-13-4), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-4-hydroxycyclohexane-1-carbonitrile.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile
Property Insights of 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile has 1 hydrogen bond donor(s) and 4 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)-4-hydroxycyclohexanecarbonitrile?
The CAS number of 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile is 69299-13-4.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile is C15H19NO3.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile is 261.14 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile 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)-4-hydroxycyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-4-hydroxycyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.