Methyl 9-oxoxanthene-2-carboxylate
TL;DR: Methyl 9-oxoxanthene-2-carboxylate (CAS 42946-50-9) is a chemical compound with molecular formula C15H10O4 and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-oxoxanthene-2-carboxylate
Also Known As: Methyl 9-oxoxanthene-2-carboxylate, Xanthonecarboxylic acid der., 9-Oxo-xanthene-2-carboxylic Acid Methyl Ester, methyl 9-oxo-9h-xanthene-2-carboxylate, J1.105.934A
| Molecular Formula | C15H10O4 |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.0579 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 42946-50-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O |
| InChIKey | KYTOGJKXWOZHFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 9-oxoxanthene-2-carboxylate (CAS 42946-50-9), with molecular formula C15H10O4 and molecular weight 254.06 g/mol. IUPAC: methyl 9-oxoxanthene-2-carboxylate.
Chemical Property Profile of Methyl 9-oxoxanthene-2-carboxylate
Property Insights of Methyl 9-oxoxanthene-2-carboxylate
The XLogP value of 3.4 indicates that Methyl 9-oxoxanthene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 9-oxoxanthene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9-oxoxanthene-2-carboxylate has 0 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 Methyl 9-oxoxanthene-2-carboxylate?
The CAS number of Methyl 9-oxoxanthene-2-carboxylate is 42946-50-9.
What is the molecular formula of Methyl 9-oxoxanthene-2-carboxylate?
The molecular formula of Methyl 9-oxoxanthene-2-carboxylate is C15H10O4.
What is the molecular weight of Methyl 9-oxoxanthene-2-carboxylate?
The molecular weight of Methyl 9-oxoxanthene-2-carboxylate is 254.06 g/mol.
Where can I buy Methyl 9-oxoxanthene-2-carboxylate?
You can request a quote for Methyl 9-oxoxanthene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9-oxoxanthene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9-oxoxanthene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.