2-乙基-2-甲基己酸
TL;DR: 2-乙基-2-甲基己酸 (CAS 1185-29-1) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基-2-甲基己酸
2-ethyl-2-methylhexanoic acid
Also Known As: 2-Ethyl-2-methylhexanoic acid, 2-Methyl-2-ethylcaproic acid, 2-Methyl-2-ethylhexanoic acid, methyl ethyl caproic acid, 2-Ethyl-2-methylhexansaure
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 1185-29-1 |
|---|---|
| SMILES | CCCCC(C)(CC)C(=O)O |
| InChIKey | LYIMSMCQBKXQDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基-2-甲基己酸 (CAS 1185-29-1), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-ethyl-2-methylhexanoic acid.
Chemical Property Profile of 2-乙基-2-甲基己酸
Property Insights of 2-乙基-2-甲基己酸
The XLogP value of 3.0 indicates that 2-乙基-2-甲基己酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-乙基-2-甲基己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基-2-甲基己酸 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-2-甲基己酸?
The CAS number of 2-乙基-2-甲基己酸 is 1185-29-1.
What is the molecular formula of 2-乙基-2-甲基己酸?
The molecular formula of 2-乙基-2-甲基己酸 is C9H18O2.
What is the molecular weight of 2-乙基-2-甲基己酸?
The molecular weight of 2-乙基-2-甲基己酸 is 158.13 g/mol.
Where can I buy 2-乙基-2-甲基己酸?
You can request a quote for 2-乙基-2-甲基己酸 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-2-甲基己酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基-2-甲基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.