2-Butyl-3-propylhexanoic acid
TL;DR: 2-Butyl-3-propylhexanoic acid (CAS 58888-89-4) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3-propylhexanoic acid
Also Known As: 2-Butyl-3-propylhexanoic acid, 2-Butyl-3-propylhexanoicacid, Hexanoic acid, 2-butyl-3-propyl-, Acide butyl-2 propyl-3 hexanoique, Hexanoic acid,2-butyl-3-propyl-
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.0938 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 159.91888 |
Chemical Identifiers
| CAS Number | 58888-89-4 |
|---|---|
| SMILES | CCCCC(C(CCC)CCC)C(=O)O |
Product Overview
2-Butyl-3-propylhexanoic acid (CAS 58888-89-4), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: 2-butyl-3-propylhexanoic acid.
Chemical Property Profile of 2-Butyl-3-propylhexanoic acid
Property Insights of 2-Butyl-3-propylhexanoic acid
The XLogP value of 4.0938 indicates that 2-Butyl-3-propylhexanoic 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-Butyl-3-propylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-3-propylhexanoic acid has 1 hydrogen bond donor(s) and 1 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-Butyl-3-propylhexanoic acid?
The CAS number of 2-Butyl-3-propylhexanoic acid is 58888-89-4.
What is the molecular formula of 2-Butyl-3-propylhexanoic acid?
The molecular formula of 2-Butyl-3-propylhexanoic acid is C13H26O2.
What is the molecular weight of 2-Butyl-3-propylhexanoic acid?
The molecular weight of 2-Butyl-3-propylhexanoic acid is 214.19 g/mol.
Where can I buy 2-Butyl-3-propylhexanoic acid?
You can request a quote for 2-Butyl-3-propylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-3-propylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-3-propylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.