7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 797775-53-2) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-phenylsulfanyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 08333529, UPCMLD0ENAT5734746:001, 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione, 3-methyl-8-phenylsulfanyl-7-prop-2-enylpurine-2,6-dione, 3-methyl-8-phenylthio-7-prop-2-enyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 1.7605 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 953.3183 |
Chemical Identifiers
| CAS Number | 797775-53-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CC=C |
Product Overview
7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione (CAS 797775-53-2), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: 3-methyl-8-phenylsulfanyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 1.7605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-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-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione is 797775-53-2.
What is the molecular formula of 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione is C15H14N4O2S.
What is the molecular weight of 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione is 314.08 g/mol.
Where can I buy 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-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-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Allyl-3-methyl-8-phenylsulfanyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.