1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea
TL;DR: 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea (CAS 56913-84-9) is a chemical compound with molecular formula C13H12FN3S and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea
Also Known As: 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea, N-(4-fluorophenyl)-N'-(4-pyridinylmethyl)thiourea, N-(4-FLUOROPHENYL)-N'-(4-PYRIDYLMETHYL)THIOUREA
| Molecular Formula | C13H12FN3S |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.7073 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0736 |
| Heavy Atoms | 18 |
| Complexity | 513.5194 |
Chemical Identifiers
| CAS Number | 56913-84-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NCC2=CC=NC=C2)F |
Product Overview
1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea (CAS 56913-84-9), with molecular formula C13H12FN3S and molecular weight 261.07 g/mol. IUPAC: 1-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea.
Chemical Property Profile of 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea
Property Insights of 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea
The XLogP value of 2.7073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)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-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea?
The CAS number of 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea is 56913-84-9.
What is the molecular formula of 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea?
The molecular formula of 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea is C13H12FN3S.
What is the molecular weight of 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea?
The molecular weight of 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea is 261.07 g/mol.
Where can I buy 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea?
You can request a quote for 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.