Hexanoic acid, 2-propyl, methyl ester
TL;DR: Hexanoic acid, 2-propyl, methyl ester (CAS 5162-60-7) 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.
methyl 2-propylhexanoate
Also Known As: methyl 2-propylhexanoate, Hexanoic acid, 2-propyl, methyl ester, starbld0040834, 2-Propylhexanoic Acid Methyl Ester, Hexanoic acid,2-propyl,methyl ester
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 5162-60-7 |
|---|---|
| SMILES | CCCCC(CCC)C(=O)OC |
| InChIKey | GXHTYYWMPPPKRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2-propyl, methyl ester (CAS 5162-60-7), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: methyl 2-propylhexanoate.
Chemical Property Profile of Hexanoic acid, 2-propyl, methyl ester
Property Insights of Hexanoic acid, 2-propyl, methyl ester
The XLogP value of 3.3 indicates that Hexanoic acid, 2-propyl, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexanoic acid, 2-propyl, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-propyl, methyl ester has 0 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 Hexanoic acid, 2-propyl, methyl ester?
The CAS number of Hexanoic acid, 2-propyl, methyl ester is 5162-60-7.
What is the molecular formula of Hexanoic acid, 2-propyl, methyl ester?
The molecular formula of Hexanoic acid, 2-propyl, methyl ester is C10H20O2.
What is the molecular weight of Hexanoic acid, 2-propyl, methyl ester?
The molecular weight of Hexanoic acid, 2-propyl, methyl ester is 172.15 g/mol.
Where can I buy Hexanoic acid, 2-propyl, methyl ester?
You can request a quote for Hexanoic acid, 2-propyl, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-propyl, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-propyl, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.