3-Hydroxymethylene-2 pentanone
TL;DR: 3-Hydroxymethylene-2 pentanone (CAS 408510-58-7) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethylidene)pentan-2-one
Also Known As: 3-hydroxymethylene-2 pentanone, 3-(hydroxymethylidene)pentan-2-one, (3Z)-3-(hydroxymethylidene)pentan-2-one, 2-PENTANONE, 3-(HYDROXYMETHYLENE)-, 2-Pentanone, 3-(hydroxymethylene)- (9CI)
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.4273 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 113.696945 |
Chemical Identifiers
| CAS Number | 408510-58-7 |
|---|---|
| SMILES | CCC(=CO)C(=O)C |
Product Overview
3-Hydroxymethylene-2 pentanone (CAS 408510-58-7), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 3-(hydroxymethylidene)pentan-2-one.
Chemical Property Profile of 3-Hydroxymethylene-2 pentanone
Property Insights of 3-Hydroxymethylene-2 pentanone
The XLogP value of 1.4273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxymethylene-2 pentanone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxymethylene-2 pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxymethylene-2 pentanone 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 3-Hydroxymethylene-2 pentanone?
The CAS number of 3-Hydroxymethylene-2 pentanone is 408510-58-7.
What is the molecular formula of 3-Hydroxymethylene-2 pentanone?
The molecular formula of 3-Hydroxymethylene-2 pentanone is C6H10O2.
What is the molecular weight of 3-Hydroxymethylene-2 pentanone?
The molecular weight of 3-Hydroxymethylene-2 pentanone is 114.07 g/mol.
Where can I buy 3-Hydroxymethylene-2 pentanone?
You can request a quote for 3-Hydroxymethylene-2 pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxymethylene-2 pentanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxymethylene-2 pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.