Pentane-2,3-dione 2-oxime
TL;DR: Pentane-2,3-dione 2-oxime (CAS 71087-73-5) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-hydroxyiminopentan-3-one
Also Known As: 2-Hydroxyimino-3-pentanone, 2-Oximino-3-pentanone, 2-Oximinopentan-3-one, 3-Pentanone, 2-oximino-, Pentane-2,3-dione 2-oxime
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.8156 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 117.59708 |
Chemical Identifiers
| CAS Number | 71087-73-5 |
|---|---|
| SMILES | CCC(=O)/C(=N/O)/C |
Product Overview
Pentane-2,3-dione 2-oxime (CAS 71087-73-5), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: (2E)-2-hydroxyiminopentan-3-one.
Chemical Property Profile of Pentane-2,3-dione 2-oxime
Property Insights of Pentane-2,3-dione 2-oxime
The XLogP value of 0.8156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentane-2,3-dione 2-oxime. With a topological polar surface area (TPSA) of 49.66 Ų, Pentane-2,3-dione 2-oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane-2,3-dione 2-oxime has 1 hydrogen bond donor(s) and 3 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 Pentane-2,3-dione 2-oxime?
The CAS number of Pentane-2,3-dione 2-oxime is 71087-73-5.
What is the molecular formula of Pentane-2,3-dione 2-oxime?
The molecular formula of Pentane-2,3-dione 2-oxime is C5H9NO2.
What is the molecular weight of Pentane-2,3-dione 2-oxime?
The molecular weight of Pentane-2,3-dione 2-oxime is 115.06 g/mol.
Where can I buy Pentane-2,3-dione 2-oxime?
You can request a quote for Pentane-2,3-dione 2-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane-2,3-dione 2-oxime?
Yes, KEHONG BIO provides custom synthesis services for Pentane-2,3-dione 2-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.