4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid
TL;DR: 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid (CAS 859668-19-2) is a chemical compound with molecular formula C22H16O6 and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxymethyl]benzoic acid
Also Known As: 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid, 4-[(1-hydroxy-5-methyl-9-oxo-xanthen-3-yl)oxymethyl]benzoic Acid, 4-[(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxymethyl]benzoic acid, 4-{[(1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoic acid
| Molecular Formula | C22H16O6 |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 4.23742 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.0947 |
| Heavy Atoms | 28 |
| Complexity | 1268.4333 |
Chemical Identifiers
| CAS Number | 859668-19-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CC=C(C=C4)C(=O)O)O |
Product Overview
4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid (CAS 859668-19-2), with molecular formula C22H16O6 and molecular weight 376.09 g/mol. IUPAC: 4-[(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxymethyl]benzoic acid.
Chemical Property Profile of 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid
Property Insights of 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid
The XLogP value of 4.23742 indicates that 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid 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 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid?
The CAS number of 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid is 859668-19-2.
What is the molecular formula of 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid?
The molecular formula of 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid is C22H16O6.
What is the molecular weight of 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid?
The molecular weight of 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid is 376.09 g/mol.
Where can I buy 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid?
You can request a quote for 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.