9-蒽基丙烯酸
TL;DR: 9-蒽基丙烯酸 (CAS 202998-44-5) 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.
9-蒽基丙烯酸
3-anthracen-9-ylprop-2-enoic acid
Also Known As: 9-Anthraceneacrylic acid, 3-(Anthracen-9-yl)acrylic acid, 3-(9-anthryl)prop-2-enoic acid, 3-anthracen-9-ylprop-2-enoic acid, (2E)-3-(9-ANTHRYL)ACRYLIC ACID
| Molecular Formula | C17H12O2 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 4.7 |
| 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 | 338.0 |
Chemical Identifiers
| CAS Number | 202998-44-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=CC(=O)O |
| InChIKey | VQEMICCPCDGMGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-蒽基丙烯酸 (CAS 202998-44-5), with molecular formula C17H12O2 and molecular weight 248.08 g/mol. IUPAC: 3-anthracen-9-ylprop-2-enoic acid.
Chemical Property Profile of 9-蒽基丙烯酸
Property Insights of 9-蒽基丙烯酸
The XLogP value of 4.7 indicates that 9-蒽基丙烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 9-蒽基丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-蒽基丙烯酸 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 9-蒽基丙烯酸?
The CAS number of 9-蒽基丙烯酸 is 202998-44-5.
What is the molecular formula of 9-蒽基丙烯酸?
The molecular formula of 9-蒽基丙烯酸 is C17H12O2.
What is the molecular weight of 9-蒽基丙烯酸?
The molecular weight of 9-蒽基丙烯酸 is 248.08 g/mol.
Where can I buy 9-蒽基丙烯酸?
You can request a quote for 9-蒽基丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-蒽基丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 9-蒽基丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.