thienyl-GBR 13119
TL;DR: thienyl-GBR 13119 (CAS 125080-79-7) is a chemical compound with molecular formula C26H31FN2OS and molecular weight 437.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-4-(3-phenylpropyl)piperazine
Also Known As: Thienyl-gbr 13119, Thienyl-gbr-13119, 1-[2-[(4-(18F)fluoranylphenyl)-thiophen-2-ylmethoxy]ethyl]-4-(3-phenylpropyl)piperazine, Piperazine, 1-(2-((4-(fluoro-18F)phenyl)-2-thienylmethoxy)ethyl)-4-(3-phenylpropyl)-, 1-(2-{[4-(~18~F)Fluorophenyl](thiophen-2-yl)methoxy}ethyl)-4-(3-phenylpropyl)piperazine
| Molecular Formula | C26H31FN2OS |
|---|---|
| Molecular Weight | 437.22 g/mol |
| LogP | 5.2436 |
| Topological Polar Surface Area | 15.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.21664 |
| Heavy Atoms | 31 |
| Complexity | 877.54004 |
Chemical Identifiers
| CAS Number | 125080-79-7 |
|---|---|
| SMILES | C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)[18F])C4=CC=CS4 |
Product Overview
thienyl-GBR 13119 (CAS 125080-79-7), with molecular formula C26H31FN2OS and molecular weight 437.22 g/mol. IUPAC: 1-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-4-(3-phenylpropyl)piperazine.
Chemical Property Profile of thienyl-GBR 13119
Property Insights of thienyl-GBR 13119
The XLogP value of 5.2436 indicates that thienyl-GBR 13119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.71 Ų, thienyl-GBR 13119 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, thienyl-GBR 13119 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of thienyl-GBR 13119?
The CAS number of thienyl-GBR 13119 is 125080-79-7.
What is the molecular formula of thienyl-GBR 13119?
The molecular formula of thienyl-GBR 13119 is C26H31FN2OS.
What is the molecular weight of thienyl-GBR 13119?
The molecular weight of thienyl-GBR 13119 is 437.22 g/mol.
Where can I buy thienyl-GBR 13119?
You can request a quote for thienyl-GBR 13119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thienyl-GBR 13119?
Yes, KEHONG BIO provides custom synthesis services for thienyl-GBR 13119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.