6-酮基正辛酸
TL;DR: 6-酮基正辛酸 (CAS 4233-57-2) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-酮基正辛酸
6-oxooctanoic acid
Also Known As: 6-oxo-octanoic acid, 6-Oxooctanoic acid, 6-keto-n-caprylic acid, Octanoic acid, 6-oxo-, 6-oxocaprylic acid
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 4233-57-2 |
|---|---|
| SMILES | CCC(=O)CCCCC(=O)O |
| InChIKey | PUOYTVHCFIDKJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-酮基正辛酸 (CAS 4233-57-2), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 6-oxooctanoic acid.
Chemical Property Profile of 6-酮基正辛酸
Property Insights of 6-酮基正辛酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-酮基正辛酸. With a topological polar surface area (TPSA) of 54.4 Ų, 6-酮基正辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-酮基正辛酸 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-酮基正辛酸?
The CAS number of 6-酮基正辛酸 is 4233-57-2.
What is the molecular formula of 6-酮基正辛酸?
The molecular formula of 6-酮基正辛酸 is C8H14O3.
What is the molecular weight of 6-酮基正辛酸?
The molecular weight of 6-酮基正辛酸 is 158.09 g/mol.
Where can I buy 6-酮基正辛酸?
You can request a quote for 6-酮基正辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-酮基正辛酸?
Yes, KEHONG BIO provides custom synthesis services for 6-酮基正辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.