![1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea structure](/static/products/5691/56913-83-8.webp)
1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 56913-83-8) is a chemical compound with molecular formula C14H12F3N3S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: Maybridge1_003686, 1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea, N-[(Pyridin-4-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea, Thiourea, N-(4-pyridinylmethyl)-N'-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C14H12F3N3S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.587 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0704 |
| Heavy Atoms | 21 |
| Complexity | 614.3613 |
Chemical Identifiers
| CAS Number | 56913-83-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NCC2=CC=NC=C2)C(F)(F)F |
Product Overview
1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea (CAS 56913-83-8), with molecular formula C14H12F3N3S and molecular weight 311.07 g/mol. IUPAC: 1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 3.587 indicates that 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]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-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]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-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea is 56913-83-8.
What is the molecular formula of 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea is C14H12F3N3S.
What is the molecular weight of 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea is 311.07 g/mol.
Where can I buy 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.