![4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide structure](/static/products/866/866137-35-1.png)
4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide
TL;DR: 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide (CAS 866137-35-1) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylsulfanylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide
Also Known As: 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide, 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide, 4-(2-methylsulfanylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide, 1-Piperazinecarboxamide, N-(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)-4-[2-(methylthio)phenyl]
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.0935 |
| Topological Polar Surface Area | 73.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 896.7696 |
Chemical Identifiers
| CAS Number | 866137-35-1 |
|---|---|
| SMILES | CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4 |
Product Overview
4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide (CAS 866137-35-1), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 4-(2-methylsulfanylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide.
Chemical Property Profile of 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide
Property Insights of 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide
The XLogP value of 3.0935 indicates that 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide. Following Lipinski's Rule of Five, 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide has 2 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 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide?
The CAS number of 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide is 866137-35-1.
What is the molecular formula of 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide?
The molecular formula of 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide is C20H22N4O3S.
What is the molecular weight of 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide?
The molecular weight of 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide is 398.14 g/mol.
Where can I buy 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide?
You can request a quote for 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)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)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(methylsulfanyl)phenyl]-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)tetrahydro-1(2H)-pyrazinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.