methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
TL;DR: methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 1164548-40-6) is a chemical compound with molecular formula C13H15ClN4S and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-chlorophenyl)-N-cyanopiperazine-1-carboximidothioate
Also Known As: methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate, methyl 4-(3-chlorophenyl)-N-cyanopiperazine-1-carboximidothioate, Methyl 4-(3-chlorophenyl)-N-cyanopiperazine-1-carbimidothioate, (Z)-{[4-(3-chlorophenyl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine, {[4-(3-chlorophenyl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine
| Molecular Formula | C13H15ClN4S |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 2.66208 |
| Topological Polar Surface Area | 42.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.0706 |
| Heavy Atoms | 19 |
| Complexity | 503.60983 |
Chemical Identifiers
| CAS Number | 1164548-40-6 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)C2=CC(=CC=C2)Cl |
Product Overview
methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 1164548-40-6), with molecular formula C13H15ClN4S and molecular weight 294.07 g/mol. IUPAC: methyl 4-(3-chlorophenyl)-N-cyanopiperazine-1-carboximidothioate.
Chemical Property Profile of methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
Property Insights of methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
The XLogP value of 2.66208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate. With a topological polar surface area (TPSA) of 42.63 Ų, methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(3-chlorophenyl)-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-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The CAS number of methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is 1164548-40-6.
What is the molecular formula of methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular formula of methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is C13H15ClN4S.
What is the molecular weight of methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular weight of methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is 294.07 g/mol.
Where can I buy methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
You can request a quote for methyl 4-(3-chlorophenyl)-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-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.