![7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/3318/331841-70-4.webp)
7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 331841-70-4) is a chemical compound with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(2-oxopropylsulfanyl)-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 00620133, UPCMLD0ENAT5731370:001, 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-8-(2-oxopropylsulfanyl)-7-prop-2-enylpurine-2,6-dione, 7-allyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C12H14N4O3S |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 0.2904 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.07867 |
| Heavy Atoms | 20 |
| Complexity | 799.36096 |
Chemical Identifiers
| CAS Number | 331841-70-4 |
|---|---|
| SMILES | CC(=O)CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C |
Product Overview
7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione (CAS 331841-70-4), with molecular formula C12H14N4O3S and molecular weight 294.08 g/mol. IUPAC: 3-methyl-8-(2-oxopropylsulfanyl)-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.2904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 5 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-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is 331841-70-4.
What is the molecular formula of 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is C12H14N4O3S.
What is the molecular weight of 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione is 294.08 g/mol.
Where can I buy 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-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-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.