Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-
TL;DR: Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- (CAS 51533-65-4) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)-4-oxocyclohexane-1-carbonitrile
Also Known As: 1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxocyclohexane-1-carbonitrile, Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-, 4-cyano-4-(3,4-dimethoxyphenyl)cyclohexanone, BAS 00335739
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 51533-65-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2(CCC(=O)CC2)C#N)OC |
| InChIKey | DGEFSVRXOCLHAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- (CAS 51533-65-4), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-4-oxocyclohexane-1-carbonitrile.
Chemical Property Profile of Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-
Property Insights of Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-. With a topological polar surface area (TPSA) of 59.3 Ų, Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- has 0 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 Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-?
The CAS number of Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- is 51533-65-4.
What is the molecular formula of Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-?
The molecular formula of Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- is C15H17NO3.
What is the molecular weight of Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-?
The molecular weight of Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- is 259.12 g/mol.
Where can I buy Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-?
You can request a quote for Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.