7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 335206-68-3) is a chemical compound with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: BAS 02549764, 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-methoxy-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione, AN-465/15280008, 7-allyl-8-methoxy-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C11H14N4O3 |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | -0.3717 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.1066 |
| Heavy Atoms | 18 |
| Complexity | 735.297 |
Chemical Identifiers
| CAS Number | 335206-68-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC=C |
Product Overview
7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 335206-68-3), with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol. IUPAC: 8-methoxy-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.3717 indicates that 7-allyl-8-methoxy-1,3-dimethyl-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 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-allyl-8-methoxy-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-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 335206-68-3.
What is the molecular formula of 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C11H14N4O3.
What is the molecular weight of 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 250.11 g/mol.
Where can I buy 7-allyl-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-allyl-8-methoxy-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-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-8-methoxy-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.