1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea
TL;DR: 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea (CAS 326015-62-7) is a chemical compound with molecular formula C13H20N4S and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea
Also Known As: 1-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea, 1-(4-Methyl-piperazin-1-yl)-3-m-tolyl-thiourea, AF-399/15645086, N-(3-methylphenyl)-N'-(4-methyl-1-piperazinyl)thiourea, [(3-methylphenyl)amino][(4-methylpiperazinyl)amino]methane-1-thione
| Molecular Formula | C13H20N4S |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 1.44382 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.14087 |
| Heavy Atoms | 18 |
| Complexity | 413.2072 |
Chemical Identifiers
| CAS Number | 326015-62-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NN2CCN(CC2)C |
Product Overview
1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea (CAS 326015-62-7), with molecular formula C13H20N4S and molecular weight 264.14 g/mol. IUPAC: 1-(3-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea.
Chemical Property Profile of 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea
Property Insights of 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea
The XLogP value of 1.44382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea. With a topological polar surface area (TPSA) of 30.54 Ų, 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)-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-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The CAS number of 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea is 326015-62-7.
What is the molecular formula of 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The molecular formula of 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea is C13H20N4S.
What is the molecular weight of 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The molecular weight of 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea is 264.14 g/mol.
Where can I buy 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
You can request a quote for 1-(3-Methylphenyl)-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-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.