9-氧代-9H-呫吨-3-甲酸
TL;DR: 9-氧代-9H-呫吨-3-甲酸 (CAS 106269-39-0) is a chemical compound with molecular formula C14H8O4 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-氧代-9H-呫吨-3-甲酸
9-oxoxanthene-3-carboxylic acid
Also Known As: Xanthone der., 9-Oxo-9H-xanthene-3-carboxylic acid, 9-Oxoxanthene-3-carboxylic acid, 9H-Xanthene-3-carboxylic acid, 9-oxo-, 9H-Xanthene-3-carboxylicacid,9-oxo-
| Molecular Formula | C14H8O4 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.04225 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 106269-39-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)C(=O)O |
| InChIKey | NXAIAURQPGLUAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-氧代-9H-呫吨-3-甲酸 (CAS 106269-39-0), with molecular formula C14H8O4 and molecular weight 240.04 g/mol. IUPAC: 9-oxoxanthene-3-carboxylic acid.
Chemical Property Profile of 9-氧代-9H-呫吨-3-甲酸
Property Insights of 9-氧代-9H-呫吨-3-甲酸
The XLogP value of 3.1 indicates that 9-氧代-9H-呫吨-3-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-氧代-9H-呫吨-3-甲酸. Following Lipinski's Rule of Five, 9-氧代-9H-呫吨-3-甲酸 has 1 hydrogen bond donor(s) and 4 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-氧代-9H-呫吨-3-甲酸?
The CAS number of 9-氧代-9H-呫吨-3-甲酸 is 106269-39-0.
What is the molecular formula of 9-氧代-9H-呫吨-3-甲酸?
The molecular formula of 9-氧代-9H-呫吨-3-甲酸 is C14H8O4.
What is the molecular weight of 9-氧代-9H-呫吨-3-甲酸?
The molecular weight of 9-氧代-9H-呫吨-3-甲酸 is 240.04 g/mol.
Where can I buy 9-氧代-9H-呫吨-3-甲酸?
You can request a quote for 9-氧代-9H-呫吨-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-氧代-9H-呫吨-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 9-氧代-9H-呫吨-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.