2-Benzalcyclohexanone oxime
TL;DR: 2-Benzalcyclohexanone oxime (CAS 41338-70-9) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzylidenecyclohexylidene)hydroxylamine
Also Known As: 2-benzalcyclohexanone oxime, 2-Benzylidenecyclohexanone oxime, N-(2-benzylidenecyclohexylidene)hydroxylamine, (NZ)-N-[(2Z)-2-benzylidenecyclohexylidene]hydroxylamine
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 41338-70-9 |
|---|---|
| SMILES | C1CCC(=NO)C(=CC2=CC=CC=C2)C1 |
| InChIKey | RWOLAHHEUZXIJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzalcyclohexanone oxime (CAS 41338-70-9), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: N-(2-benzylidenecyclohexylidene)hydroxylamine.
Chemical Property Profile of 2-Benzalcyclohexanone oxime
Property Insights of 2-Benzalcyclohexanone oxime
The XLogP value of 3.3 indicates that 2-Benzalcyclohexanone oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 2-Benzalcyclohexanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzalcyclohexanone oxime has 1 hydrogen bond donor(s) and 2 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-Benzalcyclohexanone oxime?
The CAS number of 2-Benzalcyclohexanone oxime is 41338-70-9.
What is the molecular formula of 2-Benzalcyclohexanone oxime?
The molecular formula of 2-Benzalcyclohexanone oxime is C13H15NO.
What is the molecular weight of 2-Benzalcyclohexanone oxime?
The molecular weight of 2-Benzalcyclohexanone oxime is 201.12 g/mol.
Where can I buy 2-Benzalcyclohexanone oxime?
You can request a quote for 2-Benzalcyclohexanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzalcyclohexanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzalcyclohexanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.