5-Oxo-2-propylhexanoic acid
TL;DR: 5-Oxo-2-propylhexanoic acid (CAS 10297-76-4) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-2-propylhexanoic acid
Also Known As: 5-Oxo-2-propylhexanoic acid, 2-Propyl-5-oxohexanoic acid, 5-Oxo-2-propylhexanoic acid #, 5-OXO-2-PROPYL-HEXANOIC ACID
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 10297-76-4 |
|---|---|
| SMILES | CCCC(CCC(=O)C)C(=O)O |
| InChIKey | WHJQRBCIFNCODR-UHFFFAOYSA-N |
Product Overview
5-Oxo-2-propylhexanoic acid (CAS 10297-76-4), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: 5-oxo-2-propylhexanoic acid.
Chemical Property Profile of 5-Oxo-2-propylhexanoic acid
Property Insights of 5-Oxo-2-propylhexanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-2-propylhexanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Oxo-2-propylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-2-propylhexanoic acid 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 5-Oxo-2-propylhexanoic acid?
The CAS number of 5-Oxo-2-propylhexanoic acid is 10297-76-4.
What is the molecular formula of 5-Oxo-2-propylhexanoic acid?
The molecular formula of 5-Oxo-2-propylhexanoic acid is C9H16O3.
What is the molecular weight of 5-Oxo-2-propylhexanoic acid?
The molecular weight of 5-Oxo-2-propylhexanoic acid is 172.11 g/mol.
Where can I buy 5-Oxo-2-propylhexanoic acid?
You can request a quote for 5-Oxo-2-propylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-2-propylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-2-propylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.