Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate
TL;DR: Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate (CAS 1830-06-4) is a chemical compound with molecular formula C20H18Cl2O3 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentane-1-carboxylate
Also Known As: NCIOpen2_009185, ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate, ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentane-1-carboxylate, ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentane-1-carboxylat, ETHYL 2,3-BIS(4-CHLOROPHENYL)-5-OXO-CYCLOPENTANE-1-CARBOXYLATE
| Molecular Formula | C20H18Cl2O3 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0633 |
| Heavy Atoms | 25 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 1830-06-4 |
|---|---|
| SMILES | CCOC(=O)C1C(C(CC1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl |
| InChIKey | IKMOAJOLEDRWLL-UHFFFAOYSA-N |
Product Overview
Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate (CAS 1830-06-4), with molecular formula C20H18Cl2O3 and molecular weight 376.06 g/mol. IUPAC: ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate
Property Insights of Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate
The XLogP value of 4.9 indicates that Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate 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 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate?
The CAS number of Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate is 1830-06-4.
What is the molecular formula of Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate?
The molecular formula of Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate is C20H18Cl2O3.
What is the molecular weight of Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate?
The molecular weight of Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate is 376.06 g/mol.
Where can I buy Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate?
You can request a quote for Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-bis(4-chlorophenyl)-5-oxocyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.