1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one
TL;DR: 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one (CAS 60180-65-6) is a chemical compound with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate
Also Known As: 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one, ethyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate, Ethyl 3-chloro-2-oxo-1,4-diphenyl-3-azetidinecarboxylate, Ethyl 3-chloro-2-oxo-1,4-diphenyl-3-azetidinecarboxylate #, RefChem:220810
| Molecular Formula | C18H16ClNO3 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.08188 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 60180-65-6 |
|---|---|
| SMILES | CCOC(=O)C1(C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Cl |
| InChIKey | OYQRPPSBCFRTGW-UHFFFAOYSA-N |
Product Overview
1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one (CAS 60180-65-6), with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol. IUPAC: ethyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate.
Chemical Property Profile of 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one
Property Insights of 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one
The XLogP value of 3.5 indicates that 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one 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 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one?
The CAS number of 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one is 60180-65-6.
What is the molecular formula of 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one?
The molecular formula of 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one is C18H16ClNO3.
What is the molecular weight of 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one?
The molecular weight of 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one is 329.08 g/mol.
Where can I buy 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one?
You can request a quote for 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.