![1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea structure](/static/products/6867/686751-72-4.webp)
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea
TL;DR: 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea (CAS 686751-72-4) is a chemical compound with molecular formula C23H28FN3O2S and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea
Also Known As: 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea, F0591-0914, 1-(3,4-dimethoxybenzyl)-3-ethyl-1-(2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl)thiourea
| Molecular Formula | C23H28FN3O2S |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 4.57172 |
| Topological Polar Surface Area | 49.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.18863 |
| Heavy Atoms | 30 |
| Complexity | 1034.7053 |
Chemical Identifiers
| CAS Number | 686751-72-4 |
|---|---|
| SMILES | CCNC(=S)N(CCC1=C(NC2=C1C=C(C=C2)F)C)CC3=CC(=C(C=C3)OC)OC |
Product Overview
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea (CAS 686751-72-4), with molecular formula C23H28FN3O2S and molecular weight 429.19 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea.
Chemical Property Profile of 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea
Property Insights of 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea
The XLogP value of 4.57172 indicates that 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.52 Ų, 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
The CAS number of 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea is 686751-72-4.
What is the molecular formula of 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
The molecular formula of 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea is C23H28FN3O2S.
What is the molecular weight of 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
The molecular weight of 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea is 429.19 g/mol.
Where can I buy 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
You can request a quote for 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.