Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-
TL;DR: Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- (CAS 181305-32-8) is a chemical compound with molecular formula C17H16BrFN4OS and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-pyridinyl)-3-[2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl]thiourea
Also Known As: PETT deriv., LY300046HCl Analog 16, Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-, 1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl]thiourea, N-(2-(2-Cyano-3-ethoxy-6-fluorophenethyl))-N'-(2-(5-bromopyridyl))thiourea
| Molecular Formula | C17H16BrFN4OS |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 3.78268 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.0212 |
| Heavy Atoms | 25 |
| Complexity | 792.4702 |
Chemical Identifiers
| CAS Number | 181305-32-8 |
|---|---|
| SMILES | CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)C#N |
Product Overview
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- (CAS 181305-32-8), with molecular formula C17H16BrFN4OS and molecular weight 422.02 g/mol. IUPAC: 1-(5-bromo-2-pyridinyl)-3-[2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl]thiourea.
Chemical Property Profile of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-
Property Insights of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-
The XLogP value of 3.78268 indicates that Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-. Following Lipinski's Rule of Five, Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- has 2 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 Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-?
The CAS number of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- is 181305-32-8.
What is the molecular formula of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-?
The molecular formula of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- is C17H16BrFN4OS.
What is the molecular weight of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-?
The molecular weight of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- is 422.02 g/mol.
Where can I buy Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-?
You can request a quote for Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-3-ethoxy-6-fluorophenyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.