3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea
TL;DR: 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea (CAS 686751-47-3) is a chemical compound with molecular formula C25H27N3OS2 and molecular weight 449.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(thiophen-2-ylmethyl)thiourea
Also Known As: 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea, F0591-0404, 3-(4-ethoxyphenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(thiophen-2-ylmethyl)thiourea, 1-(4-ETHOXYPHENYL)-3-[2-(2-METHYL-1H-INDOL-3-YL)ETHYL]-3-[(THIOPHEN-2-YL)METHYL]THIOUREA
| Molecular Formula | C25H27N3OS2 |
|---|---|
| Molecular Weight | 449.16 g/mol |
| LogP | 6.37822 |
| Topological Polar Surface Area | 40.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.15955 |
| Heavy Atoms | 31 |
| Complexity | 1133.5159 |
Chemical Identifiers
| CAS Number | 686751-47-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)N(CCC2=C(NC3=CC=CC=C32)C)CC4=CC=CS4 |
Product Overview
3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea (CAS 686751-47-3), with molecular formula C25H27N3OS2 and molecular weight 449.16 g/mol. IUPAC: 3-(4-ethoxyphenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-(thiophen-2-ylmethyl)thiourea.
Chemical Property Profile of 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea
Property Insights of 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea
The XLogP value of 6.37822 indicates that 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.29 Ų, 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)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 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea?
The CAS number of 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea is 686751-47-3.
What is the molecular formula of 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea?
The molecular formula of 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea is C25H27N3OS2.
What is the molecular weight of 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea?
The molecular weight of 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea is 449.16 g/mol.
Where can I buy 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea?
You can request a quote for 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethoxyphenyl)-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-1-(thiophen-2-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.