![2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one structure](/static/products/4339/433945-73-4.webp)
2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
TL;DR: 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one (CAS 433945-73-4) is a chemical compound with molecular formula C20H20ClNO2 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-4-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-8-one
Also Known As: starbld0047930, 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one, BAS 04212423, A2863/0120727, 2-(4-Chloro-benzyl)-8-ethoxy-1,3-dimethyl-2H-cyclohepta[c]pyrrol-4-one
| Molecular Formula | C20H20ClNO2 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.11826 |
| Heavy Atoms | 24 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 433945-73-4 |
|---|---|
| SMILES | CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)CC3=CC=C(C=C3)Cl)C |
| InChIKey | PTQJXFLYSQXYEP-UHFFFAOYSA-N |
Product Overview
2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one (CAS 433945-73-4), with molecular formula C20H20ClNO2 and molecular weight 341.12 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-4-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-8-one.
Chemical Property Profile of 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
Property Insights of 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
The XLogP value of 4.5 indicates that 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one has 0 hydrogen bond donor(s) and 2 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 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one?
The CAS number of 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one is 433945-73-4.
What is the molecular formula of 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one?
The molecular formula of 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one is C20H20ClNO2.
What is the molecular weight of 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one?
The molecular weight of 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one is 341.12 g/mol.
Where can I buy 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one?
You can request a quote for 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.