7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
TL;DR: 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione (CAS 303971-04-2) is a chemical compound with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
Also Known As: 7-ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione, BAS 00843998, AB00667691-01, 7-ethyl-8-(isopropylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-ethyl-8-(isopropylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C11H16N4O2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0994 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 303971-04-2 |
|---|---|
| SMILES | CCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C |
| InChIKey | ROGAFFXKZCRIBW-UHFFFAOYSA-N |
Product Overview
7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione (CAS 303971-04-2), with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol. IUPAC: 7-ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
Property Insights of 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-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 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
The CAS number of 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione is 303971-04-2.
What is the molecular formula of 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
The molecular formula of 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione is C11H16N4O2S.
What is the molecular weight of 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
The molecular weight of 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione is 268.10 g/mol.
Where can I buy 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
You can request a quote for 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethyl-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.