1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 374086-32-5) 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.
1,3-dimethyl-7-(2-methylprop-2-enyl)-8-methylsulfanylpurine-2,6-dione
Also Known As: BAS 01547086, VU0607591-1, 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione, AB01295784-01, F3259-0276
| Molecular Formula | C12H16N4O2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 0.7317 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0994 |
| Heavy Atoms | 19 |
| Complexity | 781.594 |
Chemical Identifiers
| CAS Number | 374086-32-5 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C |
Product Overview
1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 374086-32-5), with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol. IUPAC: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-methylsulfanylpurine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.7317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione has 0 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 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 374086-32-5.
What is the molecular formula of 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is C12H16N4O2S.
What is the molecular weight of 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 280.10 g/mol.
Where can I buy 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(2-methylallyl)-8-(methylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.