AA-516/31408054
TL;DR: AA-516/31408054 (CAS 79379-93-4) is a chemical compound with molecular formula C14H11NO6 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-benzoyl-1,2-oxazole-4,5-dicarboxylate
Also Known As: dimethyl 3-benzoylisoxazole-4,5-dicarboxylate, ChemDiv3_012706, dimethyl 3-benzoyl-1,2-oxazole-4,5-dicarboxylate, 4,5-Isoxazoledicarboxylic acid, 3-benzoyl-, dimethyl ester, AA-516/31408054
| Molecular Formula | C14H11NO6 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 1.4788 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.05862 |
| Heavy Atoms | 21 |
| Complexity | 688.74475 |
Chemical Identifiers
| CAS Number | 79379-93-4 |
|---|---|
| SMILES | COC(=O)C1=C(ON=C1C(=O)C2=CC=CC=C2)C(=O)OC |
Product Overview
AA-516/31408054 (CAS 79379-93-4), with molecular formula C14H11NO6 and molecular weight 289.06 g/mol. IUPAC: dimethyl 3-benzoyl-1,2-oxazole-4,5-dicarboxylate.
Chemical Property Profile of AA-516/31408054
Property Insights of AA-516/31408054
The XLogP value of 1.4788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AA-516/31408054. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AA-516/31408054. Following Lipinski's Rule of Five, AA-516/31408054 has 0 hydrogen bond donor(s) and 7 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 AA-516/31408054?
The CAS number of AA-516/31408054 is 79379-93-4.
What is the molecular formula of AA-516/31408054?
The molecular formula of AA-516/31408054 is C14H11NO6.
What is the molecular weight of AA-516/31408054?
The molecular weight of AA-516/31408054 is 289.06 g/mol.
Where can I buy AA-516/31408054?
You can request a quote for AA-516/31408054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AA-516/31408054?
Yes, KEHONG BIO provides custom synthesis services for AA-516/31408054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.