6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one
TL;DR: 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one (CAS 887570-59-4) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-benzylsulfanyl-3-methyl-5-nitrosopyrimidin-4-one
Also Known As: 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one, AB-323/25048399, 6-amino-2-benzylsulfanyl-3-methyl-5-nitrosopyrimidin-4-one
| Molecular Formula | C12H12N4O2S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 2.0527 |
| Topological Polar Surface Area | 90.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.06808 |
| Heavy Atoms | 19 |
| Complexity | 654.7692 |
Chemical Identifiers
| CAS Number | 887570-59-4 |
|---|---|
| SMILES | CN1C(=O)C(=C(N=C1SCC2=CC=CC=C2)N)N=O |
Product Overview
6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one (CAS 887570-59-4), with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol. IUPAC: 6-amino-2-benzylsulfanyl-3-methyl-5-nitrosopyrimidin-4-one.
Chemical Property Profile of 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one
Property Insights of 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one
The XLogP value of 2.0527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one. The TPSA of 90.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 6 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 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one?
The CAS number of 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one is 887570-59-4.
What is the molecular formula of 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one?
The molecular formula of 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one is C12H12N4O2S.
What is the molecular weight of 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one?
The molecular weight of 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one is 276.07 g/mol.
Where can I buy 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one?
You can request a quote for 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-(benzylsulfanyl)-3-methyl-5-nitrosopyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.