Heptan-3-one oxime
TL;DR: Heptan-3-one oxime (CAS 2108-81-8) is a chemical compound with molecular formula C7H15NO and molecular weight 129.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-heptan-3-ylidenehydroxylamine
Also Known As: Methylhexanonoxim, Heptan-3-one oxime, NCIOpen2_000558, N-heptan-3-ylidenehydroxylamine, (NE)-N-heptan-3-ylidenehydroxylamine
| Molecular Formula | C7H15NO |
|---|---|
| Molecular Weight | 129.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.11537 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 2108-81-8 |
|---|---|
| SMILES | CCCCC(=NO)CC |
| InChIKey | VRCWWHOADHLWNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptan-3-one oxime (CAS 2108-81-8), with molecular formula C7H15NO and molecular weight 129.12 g/mol. IUPAC: N-heptan-3-ylidenehydroxylamine.
Chemical Property Profile of Heptan-3-one oxime
Property Insights of Heptan-3-one oxime
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptan-3-one oxime. With a topological polar surface area (TPSA) of 32.6 Ų, Heptan-3-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptan-3-one 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 Heptan-3-one oxime?
The CAS number of Heptan-3-one oxime is 2108-81-8.
What is the molecular formula of Heptan-3-one oxime?
The molecular formula of Heptan-3-one oxime is C7H15NO.
What is the molecular weight of Heptan-3-one oxime?
The molecular weight of Heptan-3-one oxime is 129.12 g/mol.
Where can I buy Heptan-3-one oxime?
You can request a quote for Heptan-3-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptan-3-one oxime?
Yes, KEHONG BIO provides custom synthesis services for Heptan-3-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.