![5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/863/863003-45-6.png)
5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863003-45-6) is a chemical compound with molecular formula C21H18N4O2S and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0859, 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-benzylsulfanyl-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-(benzylsulfanyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H18N4O2S |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 2.9865 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.11505 |
| Heavy Atoms | 28 |
| Complexity | 1265.0667 |
Chemical Identifiers
| CAS Number | 863003-45-6 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863003-45-6), with molecular formula C21H18N4O2S and molecular weight 390.12 g/mol. IUPAC: 5-benzylsulfanyl-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.9865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. The TPSA of 69.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione has 0 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 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 863003-45-6.
What is the molecular formula of 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C21H18N4O2S.
What is the molecular weight of 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 390.12 g/mol.
Where can I buy 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(benzylthio)-1,3-dimethyl-7-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 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylthio)-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.