![2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione structure](/static/products/832/832686-75-6.png)
2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
TL;DR: 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CAS 832686-75-6) is a chemical compound with molecular formula C19H13ClN4O2S and molecular weight 396.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
Also Known As: BRD-K54583001-001-07-9, 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione, 7-Benzylsulfanyl-3-(4-chloro-phenyl)-1H-pyrimido[4,5-d]pyrimidine-2,4-dione, 7-(benzylsulfanyl)-3-(4-chlorophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(benzylthio)-3-(4-chlorophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C19H13ClN4O2S |
|---|---|
| Molecular Weight | 396.04 g/mol |
| LogP | 3.4147 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.04477 |
| Heavy Atoms | 27 |
| Complexity | 1220.6392 |
Chemical Identifiers
| CAS Number | 832686-75-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl |
Product Overview
2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CAS 832686-75-6), with molecular formula C19H13ClN4O2S and molecular weight 396.04 g/mol. IUPAC: 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
Chemical Property Profile of 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
Property Insights of 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
The XLogP value of 3.4147 indicates that 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione 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 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione. Following Lipinski's Rule of Five, 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione 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 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The CAS number of 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is 832686-75-6.
What is the molecular formula of 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The molecular formula of 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is C19H13ClN4O2S.
What is the molecular weight of 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The molecular weight of 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is 396.04 g/mol.
Where can I buy 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
You can request a quote for 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.