![5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/863/863002-57-7.png)
5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863002-57-7) is a chemical compound with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-propan-2-yl-5-prop-2-enylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: F0654-0396, 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-7-propan-2-yl-5-prop-2-enylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-(prop-2-en-1-ylsulfanyl)-7-(propan-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C14H18N4O2S |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 1.4287 |
| Topological Polar Surface Area | 69.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.11505 |
| Heavy Atoms | 21 |
| Complexity | 820.3045 |
Chemical Identifiers
| CAS Number | 863002-57-7 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C(=N1)SCC=C)C(=O)N(C(=O)N2C)C |
Product Overview
5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863002-57-7), with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol. IUPAC: 1,3-dimethyl-7-propan-2-yl-5-prop-2-enylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.4287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[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)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[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-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 863002-57-7.
What is the molecular formula of 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C14H18N4O2S.
What is the molecular weight of 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 306.12 g/mol.
Where can I buy 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[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)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(allylthio)-7-isopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.