4-Hydroxy-3-propyl-2-hexanone
TL;DR: 4-Hydroxy-3-propyl-2-hexanone (CAS 62338-17-4) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-propylhexan-2-one
Also Known As: 4-Hydroxy-3-propyl-2-hexanone, 4-hydroxy-3-propylhexan-2-one, 2-Hexanone, 4-hydroxy-3-propyl-, 2-HEXANONE,4-HYDROXY-3-PR, 4-Hydroxy-3-propyl-2-hexanone #
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 62338-17-4 |
|---|---|
| SMILES | CCCC(C(CC)O)C(=O)C |
| InChIKey | NVGTWDAPVVDCRI-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3-propyl-2-hexanone (CAS 62338-17-4), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 4-hydroxy-3-propylhexan-2-one.
Chemical Property Profile of 4-Hydroxy-3-propyl-2-hexanone
Property Insights of 4-Hydroxy-3-propyl-2-hexanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-propyl-2-hexanone. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-3-propyl-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-propyl-2-hexanone 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 4-Hydroxy-3-propyl-2-hexanone?
The CAS number of 4-Hydroxy-3-propyl-2-hexanone is 62338-17-4.
What is the molecular formula of 4-Hydroxy-3-propyl-2-hexanone?
The molecular formula of 4-Hydroxy-3-propyl-2-hexanone is C9H18O2.
What is the molecular weight of 4-Hydroxy-3-propyl-2-hexanone?
The molecular weight of 4-Hydroxy-3-propyl-2-hexanone is 158.13 g/mol.
Where can I buy 4-Hydroxy-3-propyl-2-hexanone?
You can request a quote for 4-Hydroxy-3-propyl-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-Hydroxy-3-propyl-2-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-propyl-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.