Pentanoic acid, 2-propyl-, methyl ester
TL;DR: Pentanoic acid, 2-propyl-, methyl ester (CAS 22632-59-3) 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.
methyl 2-propylpentanoate
Also Known As: Methyl 2-propylpentanoate, Methyl valproate, Valproic Acid Methyl Ester, Pentanoic acid, 2-propyl-, methyl ester, Valproic acid, Me
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 22632-59-3 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OC |
| InChIKey | WPRYUWYMOZQHIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanoic acid, 2-propyl-, methyl ester (CAS 22632-59-3), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: methyl 2-propylpentanoate.
Chemical Property Profile of Pentanoic acid, 2-propyl-, methyl ester
Property Insights of Pentanoic acid, 2-propyl-, methyl ester
The XLogP value of 3.0 indicates that Pentanoic 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, Pentanoic acid, 2-propyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic 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 Pentanoic acid, 2-propyl-, methyl ester?
The CAS number of Pentanoic acid, 2-propyl-, methyl ester is 22632-59-3.
What is the molecular formula of Pentanoic acid, 2-propyl-, methyl ester?
The molecular formula of Pentanoic acid, 2-propyl-, methyl ester is C9H18O2.
What is the molecular weight of Pentanoic acid, 2-propyl-, methyl ester?
The molecular weight of Pentanoic acid, 2-propyl-, methyl ester is 158.13 g/mol.
Where can I buy Pentanoic acid, 2-propyl-, methyl ester?
You can request a quote for Pentanoic 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 Pentanoic acid, 2-propyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2-propyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.