![3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/7261/726199-69-5.webp)
3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 726199-69-5) is a chemical compound with molecular formula C19H12ClN5O4S and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
Also Known As: 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 6-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione, 3-(3-chlorophenyl)-2-hydroxy-7-[(3-nitrobenzyl)sulfanyl]pyrimido[4,5-d]pyrimidin-4(3H)-one
| Molecular Formula | C19H12ClN5O4S |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 3.3229 |
| Topological Polar Surface Area | 123.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.02985 |
| Heavy Atoms | 30 |
| Complexity | 1401.8219 |
Chemical Identifiers
| CAS Number | 726199-69-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl |
Product Overview
3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 726199-69-5), with molecular formula C19H12ClN5O4S and molecular weight 441.03 g/mol. IUPAC: 6-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
Chemical Property Profile of 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.3229 indicates that 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 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 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 726199-69-5.
What is the molecular formula of 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C19H12ClN5O4S.
What is the molecular weight of 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 441.03 g/mol.
Where can I buy 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-7-((3-nitrobenzyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.