![1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea structure](/static/products/2608/260802-43-5.webp)
1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea
TL;DR: 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea (CAS 260802-43-5) is a chemical compound with molecular formula C23H23F3N6S and molecular weight 472.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiourea
Also Known As: 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea, 3-benzyl-1-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea, N-Benzyl-N'-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pyridin-3-yl)thiourea, N'-(Phenylmethyl)-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-pyridinyl]thiourea, Na(2)-(Phenylmethyl)-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-pyridinyl]thiourea
| Molecular Formula | C23H23F3N6S |
|---|---|
| Molecular Weight | 472.17 g/mol |
| LogP | 4.3086 |
| Topological Polar Surface Area | 56.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.1657 |
| Heavy Atoms | 33 |
| Complexity | 1067.5598 |
Chemical Identifiers
| CAS Number | 260802-43-5 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=C(C=C2)NC(=S)NCC3=CC=CC=C3)C4=C(C=CC=N4)C(F)(F)F |
Product Overview
1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea (CAS 260802-43-5), with molecular formula C23H23F3N6S and molecular weight 472.17 g/mol. IUPAC: 1-benzyl-3-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiourea.
Chemical Property Profile of 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea
Property Insights of 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea
The XLogP value of 4.3086 indicates that 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.32 Ų, 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea has 2 hydrogen bond donor(s) and 5 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-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea?
The CAS number of 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea is 260802-43-5.
What is the molecular formula of 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea?
The molecular formula of 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea is C23H23F3N6S.
What is the molecular weight of 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea?
The molecular weight of 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea is 472.17 g/mol.
Where can I buy 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea?
You can request a quote for 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-[6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.