7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 378207-84-2) is a chemical compound with molecular formula C13H18N4O2S and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-propan-2-ylsulfanyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 02080913, 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-propan-2-ylsulfanyl-7-prop-2-enylpurine-2,6-dione, 7-allyl-8-(isopropylthio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-Allyl-8-isopropylsulfanyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C13H18N4O2S |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 1.1202 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.11505 |
| Heavy Atoms | 20 |
| Complexity | 782.2358 |
Chemical Identifiers
| CAS Number | 378207-84-2 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C |
Product Overview
7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 378207-84-2), with molecular formula C13H18N4O2S and molecular weight 294.12 g/mol. IUPAC: 1,3-dimethyl-8-propan-2-ylsulfanyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.1202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 378207-84-2.
What is the molecular formula of 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C13H18N4O2S.
What is the molecular weight of 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 294.12 g/mol.
Where can I buy 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-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-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-8-(isopropylthio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.