(2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
TL;DR: (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate (CAS 1002683-61-5) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Also Known As: (2-methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 2-methoxyphenyl ester
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.51924 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 554.62024 |
Chemical Identifiers
| CAS Number | 1002683-61-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(=O)OC2=CC=CC=C2OC |
Product Overview
(2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate (CAS 1002683-61-5), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: (2-methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Property Insights of (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
The XLogP value of 2.51924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate. The TPSA of 61.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate has 0 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 (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The CAS number of (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 1002683-61-5.
What is the molecular formula of (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular formula of (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is C13H13NO4.
What is the molecular weight of (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular weight of (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 247.08 g/mol.
Where can I buy (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
You can request a quote for (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methoxyphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.