3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione
TL;DR: 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione (CAS 331675-01-5) is a chemical compound with molecular formula C12H18N4O2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione
Also Known As: ChemDiv2_003529, IDI1_002244, 3-methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione, AB00667636-01, 7-isopropyl-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C12H18N4O2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 1.5063 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.11505 |
| Heavy Atoms | 19 |
| Complexity | 710.8133 |
Chemical Identifiers
| CAS Number | 331675-01-5 |
|---|---|
| SMILES | CCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C |
Product Overview
3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione (CAS 331675-01-5), with molecular formula C12H18N4O2S and molecular weight 282.12 g/mol. IUPAC: 3-methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione
Property Insights of 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione
The XLogP value of 1.5063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-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 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione?
The CAS number of 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione is 331675-01-5.
What is the molecular formula of 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione?
The molecular formula of 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione is C12H18N4O2S.
What is the molecular weight of 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione?
The molecular weight of 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione is 282.12 g/mol.
Where can I buy 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione?
You can request a quote for 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-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 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-propan-2-yl-8-propylsulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.