Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate
TL;DR: Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate (CAS 893771-43-2) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate
Also Known As: methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate, methyl 7-(acetylamino)-2-methyl-1,3-benzoxazole-5-carboxylate, methyl 7-(acetylamino)-2-methylbenzoxazole-5-carboxylate, methyl 7-acetamido-2-methylbenzo[d]oxazole-5-carboxylate, A4112/0175300
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.88122 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 630.2843 |
Chemical Identifiers
| CAS Number | 893771-43-2 |
|---|---|
| SMILES | CC1=NC2=C(O1)C(=CC(=C2)C(=O)OC)NC(=O)C |
Product Overview
Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate (CAS 893771-43-2), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate.
Chemical Property Profile of Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate
Property Insights of Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate
The XLogP value of 1.88122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-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 Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate?
The CAS number of Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate is 893771-43-2.
What is the molecular formula of Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate?
The molecular formula of Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate is C12H12N2O4.
What is the molecular weight of Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate?
The molecular weight of Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate is 248.08 g/mol.
Where can I buy Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate?
You can request a quote for Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-acetamido-2-methyl-1,3-benzoxazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.