4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide
TL;DR: 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide (CAS 339017-91-3) is a chemical compound with molecular formula C20H27N7OS and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
Also Known As: 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide, 7M-838, 4-[2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide, 4-[2-(methylsulfanyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide, 4-[2-(methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarboxamide
| Molecular Formula | C20H27N7OS |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 1.7258 |
| Topological Polar Surface Area | 81.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.19977 |
| Heavy Atoms | 29 |
| Complexity | 833.9783 |
Chemical Identifiers
| CAS Number | 339017-91-3 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)N2CCN(CC2)C(=O)N)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide (CAS 339017-91-3), with molecular formula C20H27N7OS and molecular weight 413.20 g/mol. IUPAC: 4-[2-methylsulfanyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide.
Chemical Property Profile of 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide
Property Insights of 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide
The XLogP value of 1.7258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide. The TPSA of 81.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide. Following Lipinski's Rule of Five, 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide has 1 hydrogen bond donor(s) and 7 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 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide?
The CAS number of 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide is 339017-91-3.
What is the molecular formula of 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide?
The molecular formula of 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide is C20H27N7OS.
What is the molecular weight of 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide?
The molecular weight of 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide is 413.20 g/mol.
Where can I buy 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide?
You can request a quote for 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(Methylsulfanyl)-6-(4-phenylpiperazino)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.