![7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one structure](/static/products/726/726199-59-3.png)
7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one
TL;DR: 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one (CAS 726199-59-3) is a chemical compound with molecular formula C19H13BrN4O2S and molecular weight 439.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
Also Known As: 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one, 2-[(4-bromophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione, 7-((4-bromobenzyl)thio)-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-bromobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-{[(4-BROMOPHENYL)METHYL]SULFANYL}-3-PHENYL-1H,2H,3H,4H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE
| Molecular Formula | C19H13BrN4O2S |
|---|---|
| Molecular Weight | 439.99 g/mol |
| LogP | 3.5238 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.99426 |
| Heavy Atoms | 27 |
| Complexity | 1220.6392 |
Chemical Identifiers
| CAS Number | 726199-59-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)SCC4=CC=C(C=C4)Br |
Product Overview
7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one (CAS 726199-59-3), with molecular formula C19H13BrN4O2S and molecular weight 439.99 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
Chemical Property Profile of 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one
Property Insights of 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one
The XLogP value of 3.5238 indicates that 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one has 1 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 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one?
The CAS number of 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one is 726199-59-3.
What is the molecular formula of 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one?
The molecular formula of 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one is C19H13BrN4O2S.
What is the molecular weight of 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one?
The molecular weight of 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one is 439.99 g/mol.
Where can I buy 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one?
You can request a quote for 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-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 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-bromobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.