![3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea structure](/static/products/6867/686751-73-5.webp)
3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea
TL;DR: 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea (CAS 686751-73-5) is a chemical compound with molecular formula C25H32FN3O2S and molecular weight 457.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea
Also Known As: 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea, F0591-0915, 3-(tert-butyl)-1-(3,4-dimethoxybenzyl)-1-(2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl)thiourea, 1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-tert-butyl-thiourea
| Molecular Formula | C25H32FN3O2S |
|---|---|
| Molecular Weight | 457.22 g/mol |
| LogP | 5.35032 |
| Topological Polar Surface Area | 49.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.21994 |
| Heavy Atoms | 32 |
| Complexity | 1104.4955 |
Chemical Identifiers
| CAS Number | 686751-73-5 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)F)CCN(CC3=CC(=C(C=C3)OC)OC)C(=S)NC(C)(C)C |
Product Overview
3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea (CAS 686751-73-5), with molecular formula C25H32FN3O2S and molecular weight 457.22 g/mol. IUPAC: 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea.
Chemical Property Profile of 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea
Property Insights of 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea
The XLogP value of 5.35032 indicates that 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-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, 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-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, 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]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-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
The CAS number of 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea is 686751-73-5.
What is the molecular formula of 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
The molecular formula of 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea is C25H32FN3O2S.
What is the molecular weight of 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
The molecular weight of 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea is 457.22 g/mol.
Where can I buy 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
You can request a quote for 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-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 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-butyl-1-[(3,4-dimethoxyphenyl)methyl]-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.