1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea
TL;DR: 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea (CAS 685113-18-2) is a chemical compound with molecular formula C14H13ClFN3S and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-(2-pyridin-2-ylethyl)thiourea
Also Known As: 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea, 1-(3-chloro-4-fluoro-phenyl)-3-[2-(2-pyridyl)ethyl]thiourea, 1-(3-chloro-4-fluorophenyl)-3-(2-pyridin-2-ylethyl)thiourea, (Z)-N-(3-chloro-4-fluorophenyl)-N'-[2-(pyridin-2-yl)ethyl]carbamimidothioic acid, 1-(3-chloro-4-fluorophenyl)-3-[2-(pyridin-2-yl)ethyl]thiourea
| Molecular Formula | C14H13ClFN3S |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 3.4032 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.05026 |
| Heavy Atoms | 20 |
| Complexity | 592.22784 |
Chemical Identifiers
| CAS Number | 685113-18-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)CCNC(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea (CAS 685113-18-2), with molecular formula C14H13ClFN3S and molecular weight 309.05 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-(2-pyridin-2-ylethyl)thiourea.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea
Property Insights of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea
The XLogP value of 3.4032 indicates that 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea has 2 hydrogen bond donor(s) and 2 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-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea is 685113-18-2.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea is C14H13ClFN3S.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea is 309.05 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-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-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.