2-乙基己酸
TL;DR: 2-乙基己酸 (CAS 149-57-5) 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.
2-乙基己酸
2-ethylhexanoic acid
Also Known As: 2-ETHYLHEXANOIC ACID, 2-Ethylcaproic acid, Ethylhexoic acid, Ethylhexanoic acid, Hexanoic acid, 2-ethyl-
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.6 |
| 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 | 99.0 |
| Melting Point | -82.8 °C |
| Boiling Point | 227.8 °C at 760 mmHg |
| Density | 0.903 - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 84 °F (NTP, 1992) |
| Flash Point | 126.7 °C |
| Vapor Pressure | 0.03 [mmHg] |
| Refractive Index | 1.4241 at 20 °C |
Chemical Identifiers
| CAS Number | 149-57-5 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O |
| InChIKey | OBETXYAYXDNJHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基己酸 (CAS 149-57-5), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 2-ethylhexanoic acid.
Chemical Property Profile of 2-乙基己酸
Property Insights of 2-乙基己酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基己酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2-乙基己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-乙基己酸?
The CAS number of 2-乙基己酸 is 149-57-5.
What is the molecular formula of 2-乙基己酸?
The molecular formula of 2-乙基己酸 is C8H16O2.
What is the molecular weight of 2-乙基己酸?
The molecular weight of 2-乙基己酸 is 144.12 g/mol.
Where can I buy 2-乙基己酸?
You can request a quote for 2-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 2-乙基己酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.