Benzenepentanoic acid
TL;DR: Benzenepentanoic acid (CAS 2270-20-4) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenylpentanoic acid
Also Known As: 5-Phenylvaleric acid, 5-PHENYLPENTANOIC ACID, Benzenepentanoic acid, Phenylvaleric acid, Phenylpentanoic acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
| Melting Point | 57.5 °C |
| Solubility | 0.61 mg/mL at 25 °C |
Chemical Identifiers
| CAS Number | 2270-20-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCC(=O)O |
| InChIKey | BYHDDXPKOZIZRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepentanoic acid (CAS 2270-20-4), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 5-phenylpentanoic acid.
Chemical Property Profile of Benzenepentanoic acid
Property Insights of Benzenepentanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepentanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Benzenepentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepentanoic 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 Benzenepentanoic acid?
The CAS number of Benzenepentanoic acid is 2270-20-4.
What is the molecular formula of Benzenepentanoic acid?
The molecular formula of Benzenepentanoic acid is C11H14O2.
What is the molecular weight of Benzenepentanoic acid?
The molecular weight of Benzenepentanoic acid is 178.10 g/mol.
Where can I buy Benzenepentanoic acid?
You can request a quote for Benzenepentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzenepentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.