3-Phenylheptanoic acid
TL;DR: 3-Phenylheptanoic acid (CAS 5638-30-2) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylheptanoic acid
Also Known As: 3-Phenylheptanoic acid, beta-Butylbenzenepropanoic acid
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 5638-30-2 |
|---|---|
| SMILES | CCCCC(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | YEUNYNJOKMJRMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylheptanoic acid (CAS 5638-30-2), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 3-phenylheptanoic acid.
Chemical Property Profile of 3-Phenylheptanoic acid
Property Insights of 3-Phenylheptanoic acid
The XLogP value of 3.8 indicates that 3-Phenylheptanoic 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, 3-Phenylheptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylheptanoic 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 3-Phenylheptanoic acid?
The CAS number of 3-Phenylheptanoic acid is 5638-30-2.
What is the molecular formula of 3-Phenylheptanoic acid?
The molecular formula of 3-Phenylheptanoic acid is C13H18O2.
What is the molecular weight of 3-Phenylheptanoic acid?
The molecular weight of 3-Phenylheptanoic acid is 206.13 g/mol.
Where can I buy 3-Phenylheptanoic acid?
You can request a quote for 3-Phenylheptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylheptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.