6-Oxoheptanoic acid
TL;DR: 6-Oxoheptanoic acid (CAS 3128-07-2) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxoheptanoic acid
Also Known As: 5-Acetylvaleric Acid, 6-Oxoheptanoic acid, Succinylacetone, 5-aceto valeric acid, 6-oxo-heptanoic acid
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 3128-07-2 |
|---|---|
| SMILES | CC(=O)CCCCC(=O)O |
| InChIKey | IZOQMUVIDMLRDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Oxoheptanoic acid (CAS 3128-07-2), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 6-oxoheptanoic acid.
Chemical Property Profile of 6-Oxoheptanoic acid
Property Insights of 6-Oxoheptanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Oxoheptanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 6-Oxoheptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxoheptanoic 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 6-Oxoheptanoic acid?
The CAS number of 6-Oxoheptanoic acid is 3128-07-2.
What is the molecular formula of 6-Oxoheptanoic acid?
The molecular formula of 6-Oxoheptanoic acid is C7H12O3.
What is the molecular weight of 6-Oxoheptanoic acid?
The molecular weight of 6-Oxoheptanoic acid is 144.08 g/mol.
Where can I buy 6-Oxoheptanoic acid?
You can request a quote for 6-Oxoheptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxoheptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxoheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.