2-Benzylpentanoic acid
TL;DR: 2-Benzylpentanoic acid (CAS 98191-23-2) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylpentanoic acid
Also Known As: 2-benzylpentanoic acid, Benzenepropanoic acid, alpha-propyl-, Benzenepropanoic acid, .alpha.-propyl-
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 98191-23-2 |
|---|---|
| SMILES | CCCC(CC1=CC=CC=C1)C(=O)O |
| InChIKey | VXOWGOAKTRJAMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylpentanoic acid (CAS 98191-23-2), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-benzylpentanoic acid.
Chemical Property Profile of 2-Benzylpentanoic acid
Property Insights of 2-Benzylpentanoic acid
The XLogP value of 3.1 indicates that 2-Benzylpentanoic 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-Benzylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylpentanoic 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-Benzylpentanoic acid?
The CAS number of 2-Benzylpentanoic acid is 98191-23-2.
What is the molecular formula of 2-Benzylpentanoic acid?
The molecular formula of 2-Benzylpentanoic acid is C12H16O2.
What is the molecular weight of 2-Benzylpentanoic acid?
The molecular weight of 2-Benzylpentanoic acid is 192.12 g/mol.
Where can I buy 2-Benzylpentanoic acid?
You can request a quote for 2-Benzylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.