![7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/727/727385-37-7.png)
7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 727385-37-7) 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-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
Also Known As: 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione, 7-((2-chlorobenzyl)thio)-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(2-Chloro-benzylsulfanyl)-3-phenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione, 7-[(2-chlorobenzyl)sulfanyl]-2-hydroxy-3-phenylpyrimido[4,5-d]pyrimidin-4(3H)-one
| 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 | 1237.8892 |
Chemical Identifiers
| CAS Number | 727385-37-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3NC2=O)SCC4=CC=CC=C4Cl |
Product Overview
7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 727385-37-7), with molecular formula C19H13ClN4O2S and molecular weight 396.04 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
Chemical Property Profile of 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.4147 indicates that 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[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 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-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 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 727385-37-7.
What is the molecular formula of 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C19H13ClN4O2S.
What is the molecular weight of 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 396.04 g/mol.
Where can I buy 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[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 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-chlorobenzyl)sulfanyl]-3-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.