Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-
TL;DR: Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)- (CAS 181305-20-4) is a chemical compound with molecular formula C15H11ClF2N4S and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-pyridinyl)-3-[2-(3-cyano-2,6-difluorophenyl)ethyl]thiourea
Also Known As: PETT deriv., LY300046HCl Analog 4, Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-, 1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluorophenyl)ethyl]thiourea, N-(2-(3-Cyano-2,6-difluorophenethyl))-N'-(2-(5-chloropyridyl))thiourea
| Molecular Formula | C15H11ClF2N4S |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 3.41398 |
| Topological Polar Surface Area | 60.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.0361 |
| Heavy Atoms | 23 |
| Complexity | 759.30756 |
Chemical Identifiers
| CAS Number | 181305-20-4 |
|---|---|
| SMILES | C1=CC(=NC=C1Cl)NC(=S)NCCC2=C(C=CC(=C2F)C#N)F |
Product Overview
Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)- (CAS 181305-20-4), with molecular formula C15H11ClF2N4S and molecular weight 352.04 g/mol. IUPAC: 1-(5-chloro-2-pyridinyl)-3-[2-(3-cyano-2,6-difluorophenyl)ethyl]thiourea.
Chemical Property Profile of Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-
Property Insights of Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-
The XLogP value of 3.41398 indicates that Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-. Following Lipinski's Rule of Five, Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)- 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 Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-?
The CAS number of Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)- is 181305-20-4.
What is the molecular formula of Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-?
The molecular formula of Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)- is C15H11ClF2N4S.
What is the molecular weight of Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-?
The molecular weight of Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)- is 352.04 g/mol.
Where can I buy Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-?
You can request a quote for Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)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-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2,6-difluorophenyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.