![2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate structure](/static/products/4717/47174-82-3.webp)
2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate
TL;DR: 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate (CAS 47174-82-3) is a chemical compound with molecular formula C15H22ClN3S2 and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate
Also Known As: 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate, Carbamodithioic acid, [(4-chlorophenyl)methyl]-, 2-(4-methyl-1-piperazinyl)ethyl ester, 2-(4-Methylpiperazin-1-yl)ethyl [(4-chlorophenyl)methyl]carbamodithioate
| Molecular Formula | C15H22ClN3S2 |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 2.6951 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.09436 |
| Heavy Atoms | 21 |
| Complexity | 444.73688 |
Chemical Identifiers
| CAS Number | 47174-82-3 |
|---|---|
| SMILES | CN1CCN(CC1)CCSC(=S)NCC2=CC=C(C=C2)Cl |
Product Overview
2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate (CAS 47174-82-3), with molecular formula C15H22ClN3S2 and molecular weight 343.09 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate.
Chemical Property Profile of 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate
Property Insights of 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate
The XLogP value of 2.6951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate. With a topological polar surface area (TPSA) of 18.51 Ų, 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate has 1 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 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate?
The CAS number of 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate is 47174-82-3.
What is the molecular formula of 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate?
The molecular formula of 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate is C15H22ClN3S2.
What is the molecular weight of 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate?
The molecular weight of 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate is 343.09 g/mol.
Where can I buy 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate?
You can request a quote for 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methylpiperazin-1-yl)ethyl N-[(4-chlorophenyl)methyl]carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.