Methyl 2-(chloromethyl)oxazole-4-carboxylate
TL;DR: Methyl 2-(chloromethyl)oxazole-4-carboxylate (CAS 208468-77-3) is a chemical compound with molecular formula C6H6ClNO3 and molecular weight 175.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(chloromethyl)-1,3-oxazole-4-carboxylate
Also Known As: methyl 2-(chloromethyl)oxazole-4-carboxylate, methyl 2-(chloromethyl)-1,3-oxazole-4-carboxylate, Methyl (2-Chloromethyl)oxazole-4-carboxylate, 4-Oxazolecarboxylic acid, 2-(chloromethyl)-, methyl ester, 2-amino-N-isobutyl-N-methylacetamide
| Molecular Formula | C6H6ClNO3 |
|---|---|
| Molecular Weight | 175.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.00362 |
| Heavy Atoms | 11 |
| Complexity | 258.085 |
Chemical Identifiers
| CAS Number | 208468-77-3 |
|---|---|
| SMILES | COC(=O)C1=COC(=N1)CCl |
Product Overview
Methyl 2-(chloromethyl)oxazole-4-carboxylate (CAS 208468-77-3), with molecular formula C6H6ClNO3 and molecular weight 175.00 g/mol. IUPAC: methyl 2-(chloromethyl)-1,3-oxazole-4-carboxylate.
Chemical Property Profile of Methyl 2-(chloromethyl)oxazole-4-carboxylate
Property Insights of Methyl 2-(chloromethyl)oxazole-4-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(chloromethyl)oxazole-4-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Methyl 2-(chloromethyl)oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(chloromethyl)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 2-(chloromethyl)oxazole-4-carboxylate?
The CAS number of Methyl 2-(chloromethyl)oxazole-4-carboxylate is 208468-77-3.
What is the molecular formula of Methyl 2-(chloromethyl)oxazole-4-carboxylate?
The molecular formula of Methyl 2-(chloromethyl)oxazole-4-carboxylate is C6H6ClNO3.
What is the molecular weight of Methyl 2-(chloromethyl)oxazole-4-carboxylate?
The molecular weight of Methyl 2-(chloromethyl)oxazole-4-carboxylate is 175.00 g/mol.
Where can I buy Methyl 2-(chloromethyl)oxazole-4-carboxylate?
You can request a quote for Methyl 2-(chloromethyl)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 2-(chloromethyl)oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(chloromethyl)oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.