Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
TL;DR: Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 4357-94-2) is a chemical compound with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: methyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate, Cloxacillin Impurity N1, Bionet2_000080, methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
| Molecular Formula | C12H10ClNO3 |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 3.09002 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.03493 |
| Heavy Atoms | 17 |
| Complexity | 562.6284 |
Chemical Identifiers
| CAS Number | 4357-94-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC |
Product Overview
Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 4357-94-2), with molecular formula C12H10ClNO3 and molecular weight 251.03 g/mol. IUPAC: methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Property Insights of Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
The XLogP value of 3.09002 indicates that Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The CAS number of Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 4357-94-2.
What is the molecular formula of Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The molecular formula of Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is C12H10ClNO3.
What is the molecular weight of Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The molecular weight of Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 251.03 g/mol.
Where can I buy Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
You can request a quote for Methyl 3-(2-chlorophenyl)-5-methyl-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 Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.