4-氧代辛酸
TL;DR: 4-氧代辛酸 (CAS 4316-44-3) 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.
4-氧代辛酸
4-oxooctanoic acid
Also Known As: 4-oxooctanoic acid, Octanoic acid, 4-oxo-, 4-oxo-octanoic acid, 4-keto-n-caprylic acid, gamma-Oxocaprylic acid
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.7 |
| 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 | 4316-44-3 |
|---|---|
| SMILES | CCCCC(=O)CCC(=O)O |
| InChIKey | RITBMTJPNSJVHF-UHFFFAOYSA-N |
Product Overview
4-氧代辛酸 (CAS 4316-44-3), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 4-oxooctanoic acid.
Chemical Property Profile of 4-氧代辛酸
Property Insights of 4-氧代辛酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代辛酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-氧代辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氧代辛酸 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 4-氧代辛酸?
The CAS number of 4-氧代辛酸 is 4316-44-3.
What is the molecular formula of 4-氧代辛酸?
The molecular formula of 4-氧代辛酸 is C8H14O3.
What is the molecular weight of 4-氧代辛酸?
The molecular weight of 4-氧代辛酸 is 158.09 g/mol.
Where can I buy 4-氧代辛酸?
You can request a quote for 4-氧代辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代辛酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.