2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
TL;DR: 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile (CAS 839-75-8) is a chemical compound with molecular formula C15H12N2O and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
Also Known As: (2E)-2-[(4E)-4-hydroxyimino-2-methylcyclohexa-2,5-dien-1-yli, 2-(4-hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
| Molecular Formula | C15H12N2O |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.09496 |
| Heavy Atoms | 18 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 839-75-8 |
|---|---|
| SMILES | CC1=CC(=NO)C=CC1=C(C#N)C2=CC=CC=C2 |
| InChIKey | USQBNZUXODUGMS-UHFFFAOYSA-N |
Product Overview
2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile (CAS 839-75-8), with molecular formula C15H12N2O and molecular weight 236.09 g/mol. IUPAC: 2-(4-hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile.
Chemical Property Profile of 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
Property Insights of 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile. With a topological polar surface area (TPSA) of 56.4 Ų, 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile 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 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile?
The CAS number of 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile is 839-75-8.
What is the molecular formula of 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile?
The molecular formula of 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile is C15H12N2O.
What is the molecular weight of 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile?
The molecular weight of 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile is 236.09 g/mol.
Where can I buy 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile?
You can request a quote for 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Hydroxyimino-2-methylcyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.