2-Isopropyl-5-methylhexanoic acid
TL;DR: 2-Isopropyl-5-methylhexanoic acid (CAS 4384-07-0) 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.
5-methyl-2-propan-2-ylhexanoic acid
Also Known As: 2-Isopropyl-5-methylhexanoic acid, 2,4-Di-isopropylbuttersaeure, alpha,gamma-Diisopropylbutyric acid, 2-(1'-Methylpropylcapronsaeure), 5-methyl-2-propan-2-ylhexanoic acid
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 4384-07-0 |
|---|---|
| SMILES | CC(C)CCC(C(C)C)C(=O)O |
| InChIKey | ZOINHQMIOAPOSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-5-methylhexanoic acid (CAS 4384-07-0), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 5-methyl-2-propan-2-ylhexanoic acid.
Chemical Property Profile of 2-Isopropyl-5-methylhexanoic acid
Property Insights of 2-Isopropyl-5-methylhexanoic acid
The XLogP value of 3.3 indicates that 2-Isopropyl-5-methylhexanoic 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-Isopropyl-5-methylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylhexanoic 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-Isopropyl-5-methylhexanoic acid?
The CAS number of 2-Isopropyl-5-methylhexanoic acid is 4384-07-0.
What is the molecular formula of 2-Isopropyl-5-methylhexanoic acid?
The molecular formula of 2-Isopropyl-5-methylhexanoic acid is C10H20O2.
What is the molecular weight of 2-Isopropyl-5-methylhexanoic acid?
The molecular weight of 2-Isopropyl-5-methylhexanoic acid is 172.15 g/mol.
Where can I buy 2-Isopropyl-5-methylhexanoic acid?
You can request a quote for 2-Isopropyl-5-methylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.