methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate
TL;DR: methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate (CAS 89292-69-3) is a chemical compound with molecular formula C14H18N4S and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-benzyl-N-cyanopiperazine-1-carboximidothioate
Also Known As: methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate, methyl 4-benzyl-N-cyanopiperazine-1-carboximidothioate, (Z)-[(4-benzylpiperazin-1-yl)(methylsulfanyl)methylidene](cyano)amine, methyl 4-benzyl-N-cyano-piperazine-1-carboximidothioate, methyl 4-benzyl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
| Molecular Formula | C14H18N4S |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | 2.00428 |
| Topological Polar Surface Area | 42.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.1252 |
| Heavy Atoms | 19 |
| Complexity | 458.08435 |
Chemical Identifiers
| CAS Number | 89292-69-3 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)CC2=CC=CC=C2 |
Product Overview
methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate (CAS 89292-69-3), with molecular formula C14H18N4S and molecular weight 274.13 g/mol. IUPAC: methyl 4-benzyl-N-cyanopiperazine-1-carboximidothioate.
Chemical Property Profile of methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate
Property Insights of methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate
The XLogP value of 2.00428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate. With a topological polar surface area (TPSA) of 42.63 Ų, methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate has 0 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 methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate?
The CAS number of methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate is 89292-69-3.
What is the molecular formula of methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate?
The molecular formula of methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate is C14H18N4S.
What is the molecular weight of methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate?
The molecular weight of methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate is 274.13 g/mol.
Where can I buy methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate?
You can request a quote for methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-benzyl-N-cyanopiperazine-1-carbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.