7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione (CAS 313470-75-6) is a chemical compound with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(2-phenylethylsulfanyl)-7-propan-2-ylpurine-2,6-dione
Also Known As: BAS 00552947, 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione, AB01277189-01, F0381-4511, 3-methyl-8-[(2-phenylethyl)sulfanyl]-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H20N4O2S |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.1307 |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 313470-75-6 |
|---|---|
| SMILES | CC(C)N1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C |
| InChIKey | SDNQZZZHIUOMJM-UHFFFAOYSA-N |
Product Overview
7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione (CAS 313470-75-6), with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol. IUPAC: 3-methyl-8-(2-phenylethylsulfanyl)-7-propan-2-ylpurine-2,6-dione.
Chemical Property Profile of 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-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-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is 313470-75-6.
What is the molecular formula of 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is C17H20N4O2S.
What is the molecular weight of 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione is 344.13 g/mol.
Where can I buy 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isopropyl-3-methyl-8-(phenethylthio)-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 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-isopropyl-3-methyl-8-(phenethylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.