Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate
TL;DR: Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate (CAS 39629-97-5) is a chemical compound with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate
Also Known As: methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate, 2-(p-Chlorophenyl)-5-oxotetrahydro-2-furoic acid methyl ester, methyl 2-(4-chlorophenyl)-5-oxotetrahydrofuran-2-carboxylate, 4-chlorophenyl 5-oxotetrahydrofuran-2-carboxylate, 2-Furoic acid, tetrahydro-2-(p-chlorophenyl)-5-oxo-, methyl ester
| Molecular Formula | C12H11ClO4 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03459 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 39629-97-5 |
|---|---|
| SMILES | COC(=O)C1(CCC(=O)O1)C2=CC=C(C=C2)Cl |
| InChIKey | DLXWKAHIUKMDIQ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate (CAS 39629-97-5), with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol. IUPAC: methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate.
Chemical Property Profile of Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate
Property Insights of Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-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-(4-chlorophenyl)-5-oxooxolane-2-carboxylate?
The CAS number of Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate is 39629-97-5.
What is the molecular formula of Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate?
The molecular formula of Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate is C12H11ClO4.
What is the molecular weight of Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate?
The molecular weight of Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate is 254.03 g/mol.
Where can I buy Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate?
You can request a quote for Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-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-(4-chlorophenyl)-5-oxooxolane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-chlorophenyl)-5-oxooxolane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.