5-phenylhexanoic Acid
TL;DR: 5-phenylhexanoic Acid (CAS 2972-25-0) 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.
5-phenylhexanoic acid
Also Known As: 5-phenylhexanoic Acid, 5-phenylhexanoicacid, starbld0007904, 5-methyl-5-phenylpentanoic acid, hexanoic acid, 5-phenyl-
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.045 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 279.63303 |
Chemical Identifiers
| CAS Number | 2972-25-0 |
|---|---|
| SMILES | CC(CCCC(=O)O)C1=CC=CC=C1 |
Product Overview
5-phenylhexanoic Acid (CAS 2972-25-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 5-phenylhexanoic acid.
Chemical Property Profile of 5-phenylhexanoic Acid
Property Insights of 5-phenylhexanoic Acid
The XLogP value of 3.045 indicates that 5-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, 5-phenylhexanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-phenylhexanoic Acid has 1 hydrogen bond donor(s) and 1 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 5-phenylhexanoic Acid?
The CAS number of 5-phenylhexanoic Acid is 2972-25-0.
What is the molecular formula of 5-phenylhexanoic Acid?
The molecular formula of 5-phenylhexanoic Acid is C12H16O2.
What is the molecular weight of 5-phenylhexanoic Acid?
The molecular weight of 5-phenylhexanoic Acid is 192.12 g/mol.
Where can I buy 5-phenylhexanoic Acid?
You can request a quote for 5-phenylhexanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-phenylhexanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-phenylhexanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.