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Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate
TL;DR: Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate (CAS 391876-99-6) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate
Also Known As: IFLab1_001958, methyl 4-((5-methylisoxazol-3-yl)carbamoyl)benzoate, methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate, F0473-0403
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.02192 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 601.3607 |
Chemical Identifiers
| CAS Number | 391876-99-6 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate (CAS 391876-99-6), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate
Property Insights of Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate
The XLogP value of 2.02192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate 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 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate?
The CAS number of Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate is 391876-99-6.
What is the molecular formula of Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate?
The molecular formula of Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate is C13H12N2O4.
What is the molecular weight of Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate?
The molecular weight of Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate is 260.08 g/mol.
Where can I buy Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate?
You can request a quote for Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.