![8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/7390/73908-79-9.webp)
8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 73908-79-9) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(3,4-(Methylenedioxy)styryl)theophylline, 8-[3,4-(Methylenedioxy)styryl]theophylline, (E)-8-(3,4-Methylenedioxystyryl)theophylline, Theophylline, 8-(3,4-(methylenedioxy)styryl)-, Theophylline, 8-[3,4-(methylenedioxy)styryl]-
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 73908-79-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=CC3=CC4=C(C=C3)OCO4 |
| InChIKey | AVFMEQZKKIUQAF-UHFFFAOYSA-N |
Product Overview
8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 73908-79-9), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: 8-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 73908-79-9.
What is the molecular formula of 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C16H14N4O4.
What is the molecular weight of 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 326.10 g/mol.
Where can I buy 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.