![1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/852/852167-91-0.png)
1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 852167-91-0) is a chemical compound with molecular formula C21H24N6O3S and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3,7-trimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 1,3,7-trimethyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H24N6O3S |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 0.77652 |
| Topological Polar Surface Area | 93.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.16306 |
| Heavy Atoms | 31 |
| Complexity | 1245.9353 |
Chemical Identifiers
| CAS Number | 852167-91-0 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C(=O)N2C)C |
Product Overview
1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 852167-91-0), with molecular formula C21H24N6O3S and molecular weight 440.16 g/mol. IUPAC: 1,3,7-trimethyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.77652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione has 0 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 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 852167-91-0.
What is the molecular formula of 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C21H24N6O3S.
What is the molecular weight of 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 440.16 g/mol.
Where can I buy 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)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 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-trimethyl-5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)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.