4-Methylcyclohexanone oxime
TL;DR: 4-Methylcyclohexanone oxime (CAS 4994-13-2) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylcyclohexylidene)hydroxylamine
Also Known As: 4-Methylcyclohexanone oxime, 4-methylcyclohexanoneoxime, AtractylenolideI, N-(4-methylcyclohexylidene)hydroxylamine, Cyclohexanone, 4-methyl-, oxime
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 4994-13-2 |
|---|---|
| SMILES | CC1CCC(=NO)CC1 |
| InChIKey | XQARYSVUDNOHMA-UHFFFAOYSA-N |
Product Overview
4-Methylcyclohexanone oxime (CAS 4994-13-2), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: N-(4-methylcyclohexylidene)hydroxylamine.
Chemical Property Profile of 4-Methylcyclohexanone oxime
Property Insights of 4-Methylcyclohexanone oxime
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylcyclohexanone oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 4-Methylcyclohexanone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylcyclohexanone 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 4-Methylcyclohexanone oxime?
The CAS number of 4-Methylcyclohexanone oxime is 4994-13-2.
What is the molecular formula of 4-Methylcyclohexanone oxime?
The molecular formula of 4-Methylcyclohexanone oxime is C7H13NO.
What is the molecular weight of 4-Methylcyclohexanone oxime?
The molecular weight of 4-Methylcyclohexanone oxime is 127.10 g/mol.
Where can I buy 4-Methylcyclohexanone oxime?
You can request a quote for 4-Methylcyclohexanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylcyclohexanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylcyclohexanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.