2-Pentanone, O-methyloxime
TL;DR: 2-Pentanone, O-methyloxime (CAS 31377-00-1) is a chemical compound with molecular formula C6H13NO and molecular weight 115.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methoxypentan-2-imine
Also Known As: 2-Pentanone, O-methyloxime, Pentan-2-one O-methyloxime, (2E)-2-Pentanone o-methyloxime #
| Molecular Formula | C6H13NO |
|---|---|
| Molecular Weight | 115.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.09972 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 31377-00-1 |
|---|---|
| SMILES | CCCC(=NOC)C |
| InChIKey | CMUPRWBXGFPVTG-UHFFFAOYSA-N |
Product Overview
2-Pentanone, O-methyloxime (CAS 31377-00-1), with molecular formula C6H13NO and molecular weight 115.10 g/mol. IUPAC: N-methoxypentan-2-imine.
Chemical Property Profile of 2-Pentanone, O-methyloxime
Property Insights of 2-Pentanone, O-methyloxime
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, O-methyloxime. With a topological polar surface area (TPSA) of 21.6 Ų, 2-Pentanone, O-methyloxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, O-methyloxime has 0 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-Pentanone, O-methyloxime?
The CAS number of 2-Pentanone, O-methyloxime is 31377-00-1.
What is the molecular formula of 2-Pentanone, O-methyloxime?
The molecular formula of 2-Pentanone, O-methyloxime is C6H13NO.
What is the molecular weight of 2-Pentanone, O-methyloxime?
The molecular weight of 2-Pentanone, O-methyloxime is 115.10 g/mol.
Where can I buy 2-Pentanone, O-methyloxime?
You can request a quote for 2-Pentanone, O-methyloxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentanone, O-methyloxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, O-methyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.