![3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione structure](/static/products/7945/794559-23-2.webp)
3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
TL;DR: 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione (CAS 794559-23-2) is a chemical compound with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-1-(2-methylpropyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 1-isobutyl-5-mercapto-3,7-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione, 1-isobutyl-3,7-dimethyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
| Molecular Formula | C12H16N4O2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 1.11721 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0994 |
| Heavy Atoms | 19 |
| Complexity | 813.305 |
Chemical Identifiers
| CAS Number | 794559-23-2 |
|---|---|
| SMILES | CC1=NC(=S)C2=C(N1)N(C(=O)N(C2=O)C)CC(C)C |
Product Overview
3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione (CAS 794559-23-2), with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol. IUPAC: 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
Property Insights of 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
The XLogP value of 1.11721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione has 1 hydrogen bond donor(s) and 4 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 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione?
The CAS number of 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione is 794559-23-2.
What is the molecular formula of 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione?
The molecular formula of 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione is C12H16N4O2S.
What is the molecular weight of 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione?
The molecular weight of 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione is 280.10 g/mol.
Where can I buy 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione?
You can request a quote for 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.