1d3q
TL;DR: 1d3q (CAS 193960-57-5) is a chemical compound with molecular formula C33H38N2O2S and molecular weight 526.2654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1d3q
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
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C33H38N2O2S |
| Molecular Weight | 526.2654 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 53.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 526.2654 Da |
| Heavy Atoms | 38 |
| Complexity | 680.0 |
| SMILES | C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCN6CCCC6 |
| InChIKey | MBVYSLWWSSHIRS-UHFFFAOYSA-N |
Chemical Property Profile of 1d3q
Property Insights of 1d3q
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, 1d3q 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
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 526.2654 g/mol.
Where can I buy 1d3q?
You can request a quote for 1d3q directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1d3q?
Yes, CoreyChem provides custom synthesis services for 1d3q and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.