methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
TL;DR: methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 343375-65-5) is a chemical compound with molecular formula C20H22N4S and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-benzhydryl-N-cyanopiperazine-1-carboximidothioate
Also Known As: methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate, methyl 4-benzhydryl-N-cyanopiperazine-1-carboximidothioate, (Z)-cyano({[4-(diphenylmethyl)piperazin-1-yl](methylsulfanyl)methylidene})amine, [(4-benzhydrylpiperazin-1-yl)-methylsulfanyl-methylidene]cyanamide
| Molecular Formula | C20H22N4S |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.59368 |
| Topological Polar Surface Area | 42.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.15652 |
| Heavy Atoms | 25 |
| Complexity | 691.7964 |
Chemical Identifiers
| CAS Number | 343375-65-5 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 343375-65-5), with molecular formula C20H22N4S and molecular weight 350.16 g/mol. IUPAC: methyl 4-benzhydryl-N-cyanopiperazine-1-carboximidothioate.
Chemical Property Profile of methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
Property Insights of methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
The XLogP value of 3.59368 indicates that methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.63 Ų, methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate 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-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The CAS number of methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is 343375-65-5.
What is the molecular formula of methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular formula of methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is C20H22N4S.
What is the molecular weight of methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular weight of methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is 350.16 g/mol.
Where can I buy methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
You can request a quote for methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-benzhydryl-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.