![3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene structure](/static/products/1939/193960-57-5.webp)
3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
TL;DR: 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene (CAS 193960-57-5) is a chemical compound with molecular formula C33H38N2O2S and molecular weight 526.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine
Also Known As: 1d3q, 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene, 2-[4-(2-Pyrrolizinoethoxy)phenyl]-3-[4-(2-pyrrolizinoethoxy)benzyl]benzo[b]thiophene, 1-(2-(4-(3-(4-(2-(Pyrrolidin-1-yl)ethoxy)benzyl)benzo[b]thiophen-2-yl)phenoxy)ethyl)pyrrolidine, 1-(2-{4-[(2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1-benzothiophen-3-yl)methyl]phenoxy}ethyl)pyrrolidine
| Molecular Formula | C33H38N2O2S |
|---|---|
| Molecular Weight | 526.27 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 526.2654 |
| Heavy Atoms | 38 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 193960-57-5 |
|---|---|
| SMILES | C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCN6CCCC6 |
| InChIKey | MBVYSLWWSSHIRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene (CAS 193960-57-5), with molecular formula C33H38N2O2S and molecular weight 526.27 g/mol. IUPAC: 1-[2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethyl]pyrrolidine.
Chemical Property Profile of 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
Property Insights of 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
The XLogP value of 7.5 indicates that 1d3q is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1d3q has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1d3q?
The CAS number of 1d3q is 193960-57-5.
What is the molecular formula of 1d3q?
The molecular formula of 1d3q is C33H38N2O2S.
What is the molecular weight of 1d3q?
The molecular weight of 1d3q is 526.27 g/mol.
Where can I buy 1d3q?
You can request a quote for 1d3q directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1d3q?
Yes, KEHONG BIO provides custom synthesis services for 1d3q and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.