3-苯基己酸
TL;DR: 3-苯基己酸 (CAS 5703-52-6) 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.
3-苯基己酸
3-phenylhexanoic acid
Also Known As: 3-phenylhexanoic acid, beta-Phenylcaproic acid
| 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 | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 5703-52-6 |
|---|---|
| SMILES | CCCC(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | FAKRRHVLIIJNGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基己酸 (CAS 5703-52-6), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 3-phenylhexanoic acid.
Chemical Property Profile of 3-苯基己酸
Property Insights of 3-苯基己酸
The XLogP value of 3.3 indicates that 3-苯基己酸 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-苯基己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基己酸 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-苯基己酸?
The CAS number of 3-苯基己酸 is 5703-52-6.
What is the molecular formula of 3-苯基己酸?
The molecular formula of 3-苯基己酸 is C12H16O2.
What is the molecular weight of 3-苯基己酸?
The molecular weight of 3-苯基己酸 is 192.12 g/mol.
Where can I buy 3-苯基己酸?
You can request a quote for 3-苯基己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基己酸?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.