4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one
TL;DR: 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one (CAS 68465-16-7) is a chemical compound with molecular formula C14H11BrN4OS and molecular weight 361.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-(4-bromophenyl)-6-methyl-2-sulfanylidene-1H-pyrido[4,3-d]pyrimidin-5-one
Also Known As: 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one, 4-amino-7-(4-bromophenyl)-6-methyl-2-sulfanylidene-1H-pyrido, Pyrido[4,3-d]pyrimidin-5(3H)-one,4-amino-7-(4-bromophenyl)-2,6-dihydro-6-methyl-2-thioxo-, 4-amino-7-(4-bromophenyl)-2-mercapto-6- methylpyrido[4,3-d]pyrimidin-5(6H)-one, 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido[4,3-d]pyrimidin-5(6H)-one
| Molecular Formula | C14H11BrN4OS |
|---|---|
| Molecular Weight | 361.98 g/mol |
| LogP | 3.00279 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.9837 |
| Heavy Atoms | 21 |
| Complexity | 959.60046 |
Chemical Identifiers
| CAS Number | 68465-16-7 |
|---|---|
| SMILES | CN1C(=CC2=C(C1=O)C(=NC(=S)N2)N)C3=CC=C(C=C3)Br |
Product Overview
4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one (CAS 68465-16-7), with molecular formula C14H11BrN4OS and molecular weight 361.98 g/mol. IUPAC: 4-amino-7-(4-bromophenyl)-6-methyl-2-sulfanylidene-1H-pyrido[4,3-d]pyrimidin-5-one.
Chemical Property Profile of 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one
Property Insights of 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one
The XLogP value of 3.00279 indicates that 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one. Following Lipinski's Rule of Five, 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one has 2 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 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one?
The CAS number of 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one is 68465-16-7.
What is the molecular formula of 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one?
The molecular formula of 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one is C14H11BrN4OS.
What is the molecular weight of 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one?
The molecular weight of 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one is 361.98 g/mol.
Where can I buy 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one?
You can request a quote for 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-7-(4-bromophenyl)-2-mercapto-6-methylpyrido(4,3-d)pyrimidin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.