methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
TL;DR: methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate (CAS 92380-76-2) is a chemical compound with molecular formula C8H9ClN2O4 and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
Also Known As: methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate, 2-chloro-5-methoxycarbonylmethyl-1(3)H-imidazole-4-carboxylic acid methyl ester
| Molecular Formula | C8H9ClN2O4 |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.02509 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 92380-76-2 |
|---|---|
| SMILES | COC(=O)CC1=C(N=C(N1)Cl)C(=O)OC |
| InChIKey | YEYHVIUAVKWSFP-UHFFFAOYSA-N |
Product Overview
methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate (CAS 92380-76-2), with molecular formula C8H9ClN2O4 and molecular weight 232.03 g/mol. IUPAC: methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate.
Chemical Property Profile of methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
Property Insights of methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-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 methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
The CAS number of methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate is 92380-76-2.
What is the molecular formula of methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
The molecular formula of methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate is C8H9ClN2O4.
What is the molecular weight of methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
The molecular weight of methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate is 232.03 g/mol.
Where can I buy methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
You can request a quote for methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-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-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-chloro-5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.