1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea
TL;DR: 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea (CAS 444286-61-7) is a chemical compound with molecular formula C13H19ClN4S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea
Also Known As: 1-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea, 3-(3-chloro-2-methyl-phenyl)-1-(4-methylpiperazin-1-yl)thiourea, N-(3-CHLORO-2-METHYLPHENYL)-N'-(4-METHYLPIPERAZINO)THIOUREA, [(3-chloro-2-methylphenyl)amino][(4-methylpiperazinyl)amino]methane-1-thione
| Molecular Formula | C13H19ClN4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.09722 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.1019 |
| Heavy Atoms | 19 |
| Complexity | 457.95648 |
Chemical Identifiers
| CAS Number | 444286-61-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=S)NN2CCN(CC2)C |
Product Overview
1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea (CAS 444286-61-7), with molecular formula C13H19ClN4S and molecular weight 298.10 g/mol. IUPAC: 1-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea.
Chemical Property Profile of 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea
Property Insights of 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea
The XLogP value of 2.09722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea. With a topological polar surface area (TPSA) of 30.54 Ų, 1-(3-Chloro-2-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-Chloro-2-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-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The CAS number of 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea is 444286-61-7.
What is the molecular formula of 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The molecular formula of 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea is C13H19ClN4S.
What is the molecular weight of 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The molecular weight of 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea is 298.10 g/mol.
Where can I buy 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
You can request a quote for 1-(3-Chloro-2-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-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.