![5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/847/847191-45-1.png)
5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 847191-45-1) is a chemical compound with molecular formula C15H14N4O2S2 and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-prop-2-enylsulfanyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-prop-2-enylsulfanyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione, F0654-1428, 1,3-dimethyl-5-(prop-2-en-1-ylsulfanyl)-7-(thiophen-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C15H14N4O2S2 |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 2.0338 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.05582 |
| Heavy Atoms | 23 |
| Complexity | 1002.9693 |
Chemical Identifiers
| CAS Number | 847191-45-1 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC=C)C(=O)N(C1=O)C |
Product Overview
5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 847191-45-1), with molecular formula C15H14N4O2S2 and molecular weight 346.06 g/mol. IUPAC: 1,3-dimethyl-5-prop-2-enylsulfanyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.0338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[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-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)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 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 847191-45-1.
What is the molecular formula of 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C15H14N4O2S2.
What is the molecular weight of 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 346.06 g/mol.
Where can I buy 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)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 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(allylthio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.