Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-
TL;DR: Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- (CAS 30468-06-5) is a chemical compound with molecular formula C20H12O5 and molecular weight 332.07 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)benzoic acid
Also Known As: starbld0026915, 3-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid, 3-(6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid, Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, 3-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
| Molecular Formula | C20H12O5 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.06848 |
| Heavy Atoms | 25 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 30468-06-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O |
| InChIKey | VZBPGKIAWCMHSA-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- (CAS 30468-06-5), with molecular formula C20H12O5 and molecular weight 332.07 g/mol. IUPAC: 3-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-
Property Insights of Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-. Following Lipinski's Rule of Five, Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- has 2 hydrogen bond donor(s) and 5 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 Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-?
The CAS number of Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- is 30468-06-5.
What is the molecular formula of Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-?
The molecular formula of Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- is C20H12O5.
What is the molecular weight of Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-?
The molecular weight of Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- is 332.07 g/mol.
Where can I buy Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-?
You can request a quote for Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.