Cycloheptanone Oxime
TL;DR: Cycloheptanone Oxime (CAS 2158-31-8) is a chemical compound with molecular formula C1CCCC(=NO)CC1 and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cycloheptylidenehydroxylamine
Also Known As: cycloheptanone oxime, Suberoxime, Cycloheptanone, oxime, N-cycloheptylidenehydroxylamine, Cycloheptanoneoxime
| Molecular Formula | C1CCCC(=NO)CC1 |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.7 |
| 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 | 99.0 |
Chemical Identifiers
| CAS Number | 2158-31-8 |
|---|---|
| SMILES | C1CCCC(=NO)CC1 |
| InChIKey | OENGSNXUALAIFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cycloheptanone Oxime (CAS 2158-31-8), with molecular formula C1CCCC(=NO)CC1 and molecular weight 127.10 g/mol. IUPAC: N-cycloheptylidenehydroxylamine.
Chemical Property Profile of Cycloheptanone Oxime
Property Insights of Cycloheptanone Oxime
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloheptanone Oxime. With a topological polar surface area (TPSA) of 32.6 Ų, Cycloheptanone Oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptanone 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 Cycloheptanone Oxime?
The CAS number of Cycloheptanone Oxime is 2158-31-8.
What is the molecular formula of Cycloheptanone Oxime?
The molecular formula of Cycloheptanone Oxime is C1CCCC(=NO)CC1.
What is the molecular weight of Cycloheptanone Oxime?
The molecular weight of Cycloheptanone Oxime is 127.10 g/mol.
Where can I buy Cycloheptanone Oxime?
You can request a quote for Cycloheptanone Oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanone Oxime?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanone Oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.