4-乙基己酸
TL;DR: 4-乙基己酸 (CAS 6299-66-7) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙基己酸
4-ethylhexanoic acid
Also Known As: 4-ETHYLHEXANOIC ACID, Hexanoic acid, 4-ethyl-, 4-ethyl-hexanoic acid, Hexanoicacid,4-ethyl-, Hexanoic acid,4-ethyl-
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 6299-66-7 |
|---|---|
| SMILES | CCC(CC)CCC(=O)O |
| InChIKey | KJYXVWHRKCNYKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙基己酸 (CAS 6299-66-7), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 4-ethylhexanoic acid.
Chemical Property Profile of 4-乙基己酸
Property Insights of 4-乙基己酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙基己酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-乙基己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙基己酸 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 4-乙基己酸?
The CAS number of 4-乙基己酸 is 6299-66-7.
What is the molecular formula of 4-乙基己酸?
The molecular formula of 4-乙基己酸 is C8H16O2.
What is the molecular weight of 4-乙基己酸?
The molecular weight of 4-乙基己酸 is 144.12 g/mol.
Where can I buy 4-乙基己酸?
You can request a quote for 4-乙基己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙基己酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.