4,5-Dihydroxy-2-hexanone
TL;DR: 4,5-Dihydroxy-2-hexanone (CAS 127607-88-9) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroxyhexan-2-one
Also Known As: 4,5-dihydroxyhexan-2-one, DHYHX, 4,5-Dihydroxy-2-hexanone, 2-Hexanone, 4,5-dihydroxy-, 2-Hexanone,4,5-dihydroxy-
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 127607-88-9 |
|---|---|
| SMILES | CC(C(CC(=O)C)O)O |
| InChIKey | JOVKXRBMZIPRBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dihydroxy-2-hexanone (CAS 127607-88-9), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 4,5-dihydroxyhexan-2-one.
Chemical Property Profile of 4,5-Dihydroxy-2-hexanone
Property Insights of 4,5-Dihydroxy-2-hexanone
The XLogP value of -1.0 indicates that 4,5-Dihydroxy-2-hexanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, 4,5-Dihydroxy-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydroxy-2-hexanone has 2 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 4,5-Dihydroxy-2-hexanone?
The CAS number of 4,5-Dihydroxy-2-hexanone is 127607-88-9.
What is the molecular formula of 4,5-Dihydroxy-2-hexanone?
The molecular formula of 4,5-Dihydroxy-2-hexanone is C6H12O3.
What is the molecular weight of 4,5-Dihydroxy-2-hexanone?
The molecular weight of 4,5-Dihydroxy-2-hexanone is 132.08 g/mol.
Where can I buy 4,5-Dihydroxy-2-hexanone?
You can request a quote for 4,5-Dihydroxy-2-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydroxy-2-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydroxy-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.