3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid
TL;DR: 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid (CAS 6640-02-4) is a chemical compound with molecular formula C30H18O5 and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxy-6-oxoxanthen-9-yl)-1-phenylnaphthalene-2-carboxylic acid
Also Known As: NCIStruc1_001212, NCIStruc2_001091, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid, 3-(3-hydroxy-6-oxoxanthen-9-yl)-1-phenylnaphthalene-2-carboxylic acid, 3-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenylnaphthalene-2-carboxylic acid
| Molecular Formula | C30H18O5 |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.11542 |
| Heavy Atoms | 35 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 6640-02-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O |
| InChIKey | BCEZAFKVPCTVIX-UHFFFAOYSA-N |
Product Overview
3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid (CAS 6640-02-4), with molecular formula C30H18O5 and molecular weight 458.12 g/mol. IUPAC: 3-(3-hydroxy-6-oxoxanthen-9-yl)-1-phenylnaphthalene-2-carboxylic acid.
Chemical Property Profile of 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid
Property Insights of 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid
The XLogP value of 5.3 indicates that 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid. Following Lipinski's Rule of Five, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid?
The CAS number of 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid is 6640-02-4.
What is the molecular formula of 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid?
The molecular formula of 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid is C30H18O5.
What is the molecular weight of 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid?
The molecular weight of 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid is 458.12 g/mol.
Where can I buy 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid?
You can request a quote for 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.