![7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/852/852170-67-3.png)
7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 852170-67-3) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-ethyl-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 7-ethyl-1,3-dimethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, REGID_for_CID_7110323
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 1.5646 |
| Topological Polar Surface Area | 86.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 1103.3499 |
Chemical Identifiers
| CAS Number | 852170-67-3 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C |
Product Overview
7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 852170-67-3), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 7-ethyl-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.5646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. The TPSA of 86.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione has 0 hydrogen bond donor(s) and 6 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-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 852170-67-3.
What is the molecular formula of 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C18H18N4O3S.
What is the molecular weight of 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 370.11 g/mol.
Where can I buy 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)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 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-ethyl-1,3-dimethyl-5-((2-oxo-2-phenylethyl)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.