beta-(9-Phenanthryl)acrylic acid
TL;DR: beta-(9-Phenanthryl)acrylic acid (CAS 54522-77-9) is a chemical compound with molecular formula C17H12O2 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenanthren-9-ylprop-2-enoic acid
Also Known As: 9-Phenanthreneacrylic acid, beta-(9-phenanthryl)acrylic acid, 3-phenanthren-9-ylprop-2-enoic acid, 3-(phenanthren-9-yl)prop-2-enoic acid, (2E)-3-(PHENANTHREN-9-YL)PROP-2-ENOIC ACID
| Molecular Formula | C17H12O2 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.08372 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 54522-77-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C=CC(=O)O |
| InChIKey | GBCYQLRBIJCAHQ-UHFFFAOYSA-N |
Product Overview
beta-(9-Phenanthryl)acrylic acid (CAS 54522-77-9), with molecular formula C17H12O2 and molecular weight 248.08 g/mol. IUPAC: 3-phenanthren-9-ylprop-2-enoic acid.
Chemical Property Profile of beta-(9-Phenanthryl)acrylic acid
Property Insights of beta-(9-Phenanthryl)acrylic acid
The XLogP value of 4.4 indicates that beta-(9-Phenanthryl)acrylic 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, beta-(9-Phenanthryl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-(9-Phenanthryl)acrylic 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 beta-(9-Phenanthryl)acrylic acid?
The CAS number of beta-(9-Phenanthryl)acrylic acid is 54522-77-9.
What is the molecular formula of beta-(9-Phenanthryl)acrylic acid?
The molecular formula of beta-(9-Phenanthryl)acrylic acid is C17H12O2.
What is the molecular weight of beta-(9-Phenanthryl)acrylic acid?
The molecular weight of beta-(9-Phenanthryl)acrylic acid is 248.08 g/mol.
Where can I buy beta-(9-Phenanthryl)acrylic acid?
You can request a quote for beta-(9-Phenanthryl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(9-Phenanthryl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-(9-Phenanthryl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.