1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea
TL;DR: 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea (CAS 516458-08-5) is a chemical compound with molecular formula C18H23N5S and molecular weight 341.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea
Also Known As: 1-(4-anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea, 3-(4-anilinophenyl)-1-(4-methylpiperazin-1-yl)thiourea, 1-(4-methylpiperazin-1-yl)-3-(4-(phenylamino)phenyl)thiourea, 1-(4-methylpiperazin-1-yl)-3-[4-(phenylamino)phenyl]thiourea
| Molecular Formula | C18H23N5S |
|---|---|
| Molecular Weight | 341.17 g/mol |
| LogP | 2.879 |
| Topological Polar Surface Area | 42.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.16742 |
| Heavy Atoms | 24 |
| Complexity | 650.86914 |
Chemical Identifiers
| CAS Number | 516458-08-5 |
|---|---|
| SMILES | CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3 |
Product Overview
1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea (CAS 516458-08-5), with molecular formula C18H23N5S and molecular weight 341.17 g/mol. IUPAC: 1-(4-anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea.
Chemical Property Profile of 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea
Property Insights of 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea
The XLogP value of 2.879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea. With a topological polar surface area (TPSA) of 42.57 Ų, 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea has 3 hydrogen bond donor(s) and 4 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-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The CAS number of 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea is 516458-08-5.
What is the molecular formula of 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The molecular formula of 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea is C18H23N5S.
What is the molecular weight of 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
The molecular weight of 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea is 341.17 g/mol.
Where can I buy 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
You can request a quote for 1-(4-Anilinophenyl)-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-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.