2-Butylhexanoic acid
TL;DR: 2-Butylhexanoic acid (CAS 3115-28-4) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylhexanoic acid
Also Known As: 2-Butylhexanoic acid, Dibutylacetic acid, Di-n-butylacetic acid, 2-Butyl hexanoate, 2,2-Dibutylacetic acid
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 3115-28-4 |
|---|---|
| SMILES | CCCCC(CCCC)C(=O)O |
| InChIKey | KQYRYPXQPKPVSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butylhexanoic acid (CAS 3115-28-4), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-butylhexanoic acid.
Chemical Property Profile of 2-Butylhexanoic acid
Property Insights of 2-Butylhexanoic acid
The XLogP value of 3.2 indicates that 2-Butylhexanoic acid 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-Butylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butylhexanoic acid 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-Butylhexanoic acid?
The CAS number of 2-Butylhexanoic acid is 3115-28-4.
What is the molecular formula of 2-Butylhexanoic acid?
The molecular formula of 2-Butylhexanoic acid is C10H20O2.
What is the molecular weight of 2-Butylhexanoic acid?
The molecular weight of 2-Butylhexanoic acid is 172.15 g/mol.
Where can I buy 2-Butylhexanoic acid?
You can request a quote for 2-Butylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Butylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.