3-Phenanthreneacetic acid
TL;DR: 3-Phenanthreneacetic acid (CAS 84306-76-3) is a chemical compound with molecular formula C16H12O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenanthren-3-ylacetic acid
Also Known As: 3-phenanthrylacetic acid, 3-Phenanthreneacetic acid, 2-phenanthren-3-ylacetic acid, 2-(3-phenanthryl)acetic acid, (Phenanthren-3-yl)acetic acid
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.08372 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 84306-76-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CC(=O)O |
| InChIKey | ZLXFMMQQGQQKFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenanthreneacetic acid (CAS 84306-76-3), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: 2-phenanthren-3-ylacetic acid.
Chemical Property Profile of 3-Phenanthreneacetic acid
Property Insights of 3-Phenanthreneacetic acid
The XLogP value of 4.1 indicates that 3-Phenanthreneacetic 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-Phenanthreneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenanthreneacetic 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-Phenanthreneacetic acid?
The CAS number of 3-Phenanthreneacetic acid is 84306-76-3.
What is the molecular formula of 3-Phenanthreneacetic acid?
The molecular formula of 3-Phenanthreneacetic acid is C16H12O2.
What is the molecular weight of 3-Phenanthreneacetic acid?
The molecular weight of 3-Phenanthreneacetic acid is 236.08 g/mol.
Where can I buy 3-Phenanthreneacetic acid?
You can request a quote for 3-Phenanthreneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenanthreneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenanthreneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.