7-甲硫基呫吨酮-2-甲酸
TL;DR: 7-甲硫基呫吨酮-2-甲酸 (CAS 40363-76-6) is a chemical compound with molecular formula C15H10O4S and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-甲硫基呫吨酮-2-甲酸
7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid
Also Known As: 7-Methylthioxanthone-2-carboxylic acid, 9H-Xanthene-2-carboxylic acid, 7-(methylthio)-9-oxo-, 7-(Methylthio)-9-oxo-9H-xanthene-2-carboxylic acid, 7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid, 9H-Xanthene-2-carboxylic acid,7-(methylthio)-9-oxo
| Molecular Formula | C15H10O4S |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.02997 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 40363-76-6 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C(=O)O |
| InChIKey | GEMHNGLORSISHO-UHFFFAOYSA-N |
Product Overview
7-甲硫基呫吨酮-2-甲酸 (CAS 40363-76-6), with molecular formula C15H10O4S and molecular weight 286.03 g/mol. IUPAC: 7-methylsulfanyl-9-oxoxanthene-2-carboxylic acid.
Chemical Property Profile of 7-甲硫基呫吨酮-2-甲酸
Property Insights of 7-甲硫基呫吨酮-2-甲酸
The XLogP value of 3.6 indicates that 7-甲硫基呫吨酮-2-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-甲硫基呫吨酮-2-甲酸. Following Lipinski's Rule of Five, 7-甲硫基呫吨酮-2-甲酸 has 1 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 7-甲硫基呫吨酮-2-甲酸?
The CAS number of 7-甲硫基呫吨酮-2-甲酸 is 40363-76-6.
What is the molecular formula of 7-甲硫基呫吨酮-2-甲酸?
The molecular formula of 7-甲硫基呫吨酮-2-甲酸 is C15H10O4S.
What is the molecular weight of 7-甲硫基呫吨酮-2-甲酸?
The molecular weight of 7-甲硫基呫吨酮-2-甲酸 is 286.03 g/mol.
Where can I buy 7-甲硫基呫吨酮-2-甲酸?
You can request a quote for 7-甲硫基呫吨酮-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-甲硫基呫吨酮-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 7-甲硫基呫吨酮-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.