4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile
TL;DR: 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile (CAS 178803-89-9) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxyimino-1-phenylcyclohexane-1-carbonitrile
Also Known As: 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 4-hydroximino-1-phenyl-, 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile #, 4-hydroxyimino-1-phenylcyclohexane-1-carbonitrile
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 178803-89-9 |
|---|---|
| SMILES | C1CC(CCC1=NO)(C#N)C2=CC=CC=C2 |
| InChIKey | IHEYHDNQIOYVLT-UHFFFAOYSA-N |
Product Overview
4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile (CAS 178803-89-9), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 4-hydroxyimino-1-phenylcyclohexane-1-carbonitrile.
Chemical Property Profile of 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile
Property Insights of 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 56.4 Ų, 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile 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 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile?
The CAS number of 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile is 178803-89-9.
What is the molecular formula of 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile?
The molecular formula of 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile is C13H14N2O.
What is the molecular weight of 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile?
The molecular weight of 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile is 214.11 g/mol.
Where can I buy 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile?
You can request a quote for 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hydroxyimino)-1-phenylcyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.