6-Phenylhexanoic Acid
TL;DR: 6-Phenylhexanoic Acid (CAS 5581-75-9) 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.
6-phenylhexanoic acid
Also Known As: 6-Phenylhexanoic acid, Benzenehexanoic acid, 6-Phenylcaproic acid, phenyl hexanoic acid, 6-PhenylhexanoicAcid
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 5581-75-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCCC(=O)O |
| InChIKey | JTXZPQIXIXYMDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Phenylhexanoic Acid (CAS 5581-75-9), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 6-phenylhexanoic acid.
Chemical Property Profile of 6-Phenylhexanoic Acid
Property Insights of 6-Phenylhexanoic Acid
The XLogP value of 3.3 indicates that 6-Phenylhexanoic 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, 6-Phenylhexanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenylhexanoic 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 6-Phenylhexanoic Acid?
The CAS number of 6-Phenylhexanoic Acid is 5581-75-9.
What is the molecular formula of 6-Phenylhexanoic Acid?
The molecular formula of 6-Phenylhexanoic Acid is C12H16O2.
What is the molecular weight of 6-Phenylhexanoic Acid?
The molecular weight of 6-Phenylhexanoic Acid is 192.12 g/mol.
Where can I buy 6-Phenylhexanoic Acid?
You can request a quote for 6-Phenylhexanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenylhexanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenylhexanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.