1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea
TL;DR: 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea (CAS 326814-83-9) is a chemical compound with molecular formula C13H9ClF3N3S and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylthiourea
Also Known As: 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-phenylthiourea, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-phenyl-thiourea, {[3-chloro-5-(trifluoromethyl)(2-pyridyl)]amino}(phenylamino)methane-1-thione
| Molecular Formula | C13H9ClF3N3S |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 4.5627 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.01578 |
| Heavy Atoms | 21 |
| Complexity | 646.8549 |
Chemical Identifiers
| CAS Number | 326814-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea (CAS 326814-83-9), with molecular formula C13H9ClF3N3S and molecular weight 331.02 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylthiourea.
Chemical Property Profile of 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea
Property Insights of 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea
The XLogP value of 4.5627 indicates that 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea 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-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea 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-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea?
The CAS number of 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea is 326814-83-9.
What is the molecular formula of 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea?
The molecular formula of 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea is C13H9ClF3N3S.
What is the molecular weight of 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea?
The molecular weight of 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea is 331.02 g/mol.
Where can I buy 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea?
You can request a quote for 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea 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-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.