2,3-Pentanedione, 3-oxime
TL;DR: 2,3-Pentanedione, 3-oxime (CAS 71087-74-6) 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.
(3E)-3-hydroxyiminopentan-2-one
Also Known As: 3-Oximino-2-pentanone, 2,3-Pentanedione, 3-oxime, 3-Isonitrosopentan-2-on, 3-(Hydroxyimino)-2-pentanone, 2,3-Pentanedione,3-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 | 71087-74-6 |
|---|---|
| SMILES | CC/C(=N\O)/C(=O)C |
Product Overview
2,3-Pentanedione, 3-oxime (CAS 71087-74-6), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: (3E)-3-hydroxyiminopentan-2-one.
Chemical Property Profile of 2,3-Pentanedione, 3-oxime
Property Insights of 2,3-Pentanedione, 3-oxime
The XLogP value of 0.8156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Pentanedione, 3-oxime. With a topological polar surface area (TPSA) of 49.66 Ų, 2,3-Pentanedione, 3-oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Pentanedione, 3-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 2,3-Pentanedione, 3-oxime?
The CAS number of 2,3-Pentanedione, 3-oxime is 71087-74-6.
What is the molecular formula of 2,3-Pentanedione, 3-oxime?
The molecular formula of 2,3-Pentanedione, 3-oxime is C5H9NO2.
What is the molecular weight of 2,3-Pentanedione, 3-oxime?
The molecular weight of 2,3-Pentanedione, 3-oxime is 115.06 g/mol.
Where can I buy 2,3-Pentanedione, 3-oxime?
You can request a quote for 2,3-Pentanedione, 3-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Pentanedione, 3-oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Pentanedione, 3-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.