(5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate
TL;DR: (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate (CAS 1004144-75-5) is a chemical compound with molecular formula C15H11NO5 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-1,2-oxazol-3-yl)methyl 2-oxochromene-3-carboxylate
Also Known As: (5-methyl-1,2-oxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate, (5-methyl-1,2-oxazol-3-yl)methyl 2-oxochromene-3-carboxylate, (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate, F2496-2122
| Molecular Formula | C15H11NO5 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 2.44642 |
| Topological Polar Surface Area | 82.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.06372 |
| Heavy Atoms | 21 |
| Complexity | 861.6265 |
Chemical Identifiers
| CAS Number | 1004144-75-5 |
|---|---|
| SMILES | CC1=CC(=NO1)COC(=O)C2=CC3=CC=CC=C3OC2=O |
Product Overview
(5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate (CAS 1004144-75-5), with molecular formula C15H11NO5 and molecular weight 285.06 g/mol. IUPAC: (5-methyl-1,2-oxazol-3-yl)methyl 2-oxochromene-3-carboxylate.
Chemical Property Profile of (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate
Property Insights of (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate
The XLogP value of 2.44642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate. The TPSA of 82.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate?
The CAS number of (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate is 1004144-75-5.
What is the molecular formula of (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate?
The molecular formula of (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate is C15H11NO5.
What is the molecular weight of (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate?
The molecular weight of (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate is 285.06 g/mol.
Where can I buy (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate?
You can request a quote for (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (5-methylisoxazol-3-yl)methyl 2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.