methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
TL;DR: methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 339107-30-1) is a chemical compound with molecular formula C12H14ClN5S and molecular weight 295.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(6-chloro-2-pyridinyl)-N-cyanopiperazine-1-carboximidothioate
Also Known As: 9B-013, methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate, methyl 4-(6-chloropyridin-2-yl)-N-cyanopiperazine-1-carboximidothioate, (E)-{[4-(6-chloropyridin-2-yl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine, [[4-(6-chloropyridin-2-yl)piperazin-1-yl]-methylsulfanyl-methylidene]cyanamide
| Molecular Formula | C12H14ClN5S |
|---|---|
| Molecular Weight | 295.07 g/mol |
| LogP | 2.05708 |
| Topological Polar Surface Area | 55.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.06586 |
| Heavy Atoms | 19 |
| Complexity | 505.08636 |
Chemical Identifiers
| CAS Number | 339107-30-1 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)C2=NC(=CC=C2)Cl |
Product Overview
methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate (CAS 339107-30-1), with molecular formula C12H14ClN5S and molecular weight 295.07 g/mol. IUPAC: methyl 4-(6-chloro-2-pyridinyl)-N-cyanopiperazine-1-carboximidothioate.
Chemical Property Profile of methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
Property Insights of methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
The XLogP value of 2.05708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate. With a topological polar surface area (TPSA) of 55.52 Ų, methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate has 0 hydrogen bond donor(s) and 5 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-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The CAS number of methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is 339107-30-1.
What is the molecular formula of methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular formula of methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is C12H14ClN5S.
What is the molecular weight of methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
The molecular weight of methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate is 295.07 g/mol.
Where can I buy methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
You can request a quote for methyl 4-(6-chloro-2-pyridinyl)-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-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(6-chloro-2-pyridinyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.