![5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/863/863003-79-6.png)
5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863003-79-6) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dimethylphenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5-[(2,5-dimethylphenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione, 5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(furan-2-yl)-1,3-dimethyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.19634 |
| Topological Polar Surface Area | 82.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1337.0331 |
Chemical Identifiers
| CAS Number | 863003-79-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CO4 |
Product Overview
5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863003-79-6), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: 5-[(2,5-dimethylphenyl)methylsulfanyl]-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 3.19634 indicates that 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[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-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 863003-79-6.
What is the molecular formula of 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C21H20N4O3S.
What is the molecular weight of 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 408.13 g/mol.
Where can I buy 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-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-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((2,5-dimethylbenzyl)thio)-7-(furan-2-yl)-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.