1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea
TL;DR: 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea (CAS 757195-98-5) is a chemical compound with molecular formula C12H17FN4S and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea
Also Known As: 1-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea, 3-(3-fluorophenyl)-1-(4-methylpiperazin-1-yl)thiourea
| Molecular Formula | C12H17FN4S |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 1.2745 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.11578 |
| Heavy Atoms | 18 |
| Complexity | 418.29337 |
Chemical Identifiers
| CAS Number | 757195-98-5 |
|---|---|
| SMILES | CN1CCN(CC1)NC(=S)NC2=CC(=CC=C2)F |
Product Overview
1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea (CAS 757195-98-5), with molecular formula C12H17FN4S and molecular weight 268.12 g/mol. IUPAC: 1-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea.
Chemical Property Profile of 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea
Property Insights of 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea
The XLogP value of 1.2745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea. With a topological polar surface area (TPSA) of 30.54 Ų, 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea has 2 hydrogen bond donor(s) and 3 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-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The CAS number of 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea is 757195-98-5.
What is the molecular formula of 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The molecular formula of 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea is C12H17FN4S.
What is the molecular weight of 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The molecular weight of 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea is 268.12 g/mol.
Where can I buy 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
You can request a quote for 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-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-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)-3-(4-methylpiperazin-1-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.