7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 378204-14-9) is a chemical compound with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 03301915, 7-allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00685693-01, 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione, F1167-0033
| Molecular Formula | C12H16N4O4S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | -0.9454 |
| Topological Polar Surface Area | 113.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.08923 |
| Heavy Atoms | 21 |
| Complexity | 775.881 |
Chemical Identifiers
| CAS Number | 378204-14-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(CO)O)CC=C |
Product Overview
7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 378204-14-9), with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol. IUPAC: 8-(2,3-dihydroxypropylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.9454 indicates that 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 3 hydrogen bond donor(s) and 6 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-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 378204-14-9.
What is the molecular formula of 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C12H16N4O4S.
What is the molecular weight of 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 312.09 g/mol.
Where can I buy 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-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-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Allyl-8-((2,3-dihydroxypropyl)thio)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.