Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate
TL;DR: Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate (CAS 87529-18-8) is a chemical compound with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate
Also Known As: ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate, ethyl3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate, RefChem:343481
| Molecular Formula | C8H12N2O3 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.0848 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 87529-18-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(ON=C1C)NC |
| InChIKey | KNDKWAJOXOARFZ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate (CAS 87529-18-8), with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol. IUPAC: ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate
Property Insights of Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate has 1 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 Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate?
The CAS number of Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate is 87529-18-8.
What is the molecular formula of Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate?
The molecular formula of Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate is C8H12N2O3.
What is the molecular weight of Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate?
The molecular weight of Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate is 184.08 g/mol.
Where can I buy Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate?
You can request a quote for Ethyl 3-methyl-5-(methylamino)-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 Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methyl-5-(methylamino)-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.