![1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea structure](/static/products/6875/687579-16-4.webp)
1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea
TL;DR: 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea (CAS 687579-16-4) is a chemical compound with molecular formula C26H27FN4OS and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea
Also Known As: 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea, F0591-1172, 3-(4-ethoxyphenyl)-1-(2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl)-1-(pyridin-4-ylmethyl)thiourea, 3-(4-ethoxyphenyl)-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea
| Molecular Formula | C26H27FN4OS |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 5.85082 |
| Topological Polar Surface Area | 53.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.18896 |
| Heavy Atoms | 33 |
| Complexity | 1224.5194 |
Chemical Identifiers
| CAS Number | 687579-16-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)N(CCC2=C(NC3=C2C=C(C=C3)F)C)CC4=CC=NC=C4 |
Product Overview
1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea (CAS 687579-16-4), with molecular formula C26H27FN4OS and molecular weight 462.19 g/mol. IUPAC: 3-(4-ethoxyphenyl)-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea.
Chemical Property Profile of 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea
Property Insights of 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea
The XLogP value of 5.85082 indicates that 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.18 Ų, 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea?
The CAS number of 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea is 687579-16-4.
What is the molecular formula of 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea?
The molecular formula of 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea is C26H27FN4OS.
What is the molecular weight of 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea?
The molecular weight of 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea is 462.19 g/mol.
Where can I buy 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea?
You can request a quote for 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-ethoxyphenyl)-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-[(pyridin-4-yl)methyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.