2-Isopropyl-5-oxohexanoic acid, (2S)-
TL;DR: 2-Isopropyl-5-oxohexanoic acid, (2S)- (CAS 16825-90-4) 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.
(2S)-5-oxo-2-propan-2-ylhexanoic acid
Also Known As: (-)-2-Isopropyl-5-oxohexanoic acid, 2-Isopropyl-5-oxohexanoic acid, (2S)-, 5-oxo-2-propan-2-yl-hexanoic Acid, Hexanoic acid, 2-isopropyl-5-oxo-, (-)-, (2S)-2-(1-Methylethyl)-5-oxohexanoic acid
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.7124 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 172.61246 |
Chemical Identifiers
| CAS Number | 16825-90-4 |
|---|---|
| SMILES | CC(C)[C@H](CCC(=O)C)C(=O)O |
Product Overview
2-Isopropyl-5-oxohexanoic acid, (2S)- (CAS 16825-90-4), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: (2S)-5-oxo-2-propan-2-ylhexanoic acid.
Chemical Property Profile of 2-Isopropyl-5-oxohexanoic acid, (2S)-
Property Insights of 2-Isopropyl-5-oxohexanoic acid, (2S)-
The XLogP value of 1.7124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-5-oxohexanoic acid, (2S)-. With a topological polar surface area (TPSA) of 54.37 Ų, 2-Isopropyl-5-oxohexanoic acid, (2S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-oxohexanoic acid, (2S)- 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 2-Isopropyl-5-oxohexanoic acid, (2S)-?
The CAS number of 2-Isopropyl-5-oxohexanoic acid, (2S)- is 16825-90-4.
What is the molecular formula of 2-Isopropyl-5-oxohexanoic acid, (2S)-?
The molecular formula of 2-Isopropyl-5-oxohexanoic acid, (2S)- is C9H16O3.
What is the molecular weight of 2-Isopropyl-5-oxohexanoic acid, (2S)-?
The molecular weight of 2-Isopropyl-5-oxohexanoic acid, (2S)- is 172.11 g/mol.
Where can I buy 2-Isopropyl-5-oxohexanoic acid, (2S)-?
You can request a quote for 2-Isopropyl-5-oxohexanoic acid, (2S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-oxohexanoic acid, (2S)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-oxohexanoic acid, (2S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.