![1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea structure](/static/products/669/669719-86-2.png)
1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea
TL;DR: 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea (CAS 669719-86-2) is a chemical compound with molecular formula C24H24FN7S and molecular weight 461.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea
Also Known As: 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea, ({[(4,6-dimethylpyrimidin-2-yl)amino]iminomethyl}(2-indol-3-ylethyl)amino)[(4- fluorophenyl)amino]methane-1-thione, 1-(2-(1H-indol-3-yl)ethyl)-1-(N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl)-3-(4-fluorophenyl)thiourea, 3-[N-(4,6-DIMETHYLPYRIMIDIN-2-YL)CARBAMIMIDOYL]-1-(4-FLUOROPHENYL)-3-[2-(1H-INDOL-3-YL)ETHYL]THIOUREA
| Molecular Formula | C24H24FN7S |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | 4.60174 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.17978 |
| Heavy Atoms | 33 |
| Complexity | 1293.9043 |
Chemical Identifiers
| CAS Number | 669719-86-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)/N=C(\N)/N(CCC2=CNC3=CC=CC=C32)C(=S)NC4=CC=C(C=C4)F)C |
Product Overview
1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea (CAS 669719-86-2), with molecular formula C24H24FN7S and molecular weight 461.18 g/mol. IUPAC: 1-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea.
Chemical Property Profile of 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea
Property Insights of 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea
The XLogP value of 4.60174 indicates that 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea. Following Lipinski's Rule of Five, 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea has 3 hydrogen bond donor(s) and 4 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-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea?
The CAS number of 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea is 669719-86-2.
What is the molecular formula of 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea?
The molecular formula of 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea is C24H24FN7S.
What is the molecular weight of 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea?
The molecular weight of 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea is 461.18 g/mol.
Where can I buy 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea?
You can request a quote for 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(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-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.