Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate
TL;DR: Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate (CAS 100506-93-2) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate
Also Known As: ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate, Ethyl 3-(4-chlorophenyl)-2-methyl-2-oxiranecarboxylate
| Molecular Formula | C12H13ClO3 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 2.7331 |
| Topological Polar Surface Area | 38.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.05533 |
| Heavy Atoms | 16 |
| Complexity | 401.22983 |
Chemical Identifiers
| CAS Number | 100506-93-2 |
|---|---|
| SMILES | CCOC(=O)C1(C(O1)C2=CC=C(C=C2)Cl)C |
Product Overview
Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate (CAS 100506-93-2), with molecular formula C12H13ClO3 and molecular weight 240.06 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate.
Chemical Property Profile of Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate
Property Insights of Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate
The XLogP value of 2.7331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.83 Ų, Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
The CAS number of Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate is 100506-93-2.
What is the molecular formula of Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
The molecular formula of Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate is C12H13ClO3.
What is the molecular weight of Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
The molecular weight of Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate is 240.06 g/mol.
Where can I buy Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
You can request a quote for Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chlorophenyl)-2-methyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.