![8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione structure](/static/products/847/847367-14-0.png)
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
TL;DR: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 847367-14-0) is a chemical compound with molecular formula C21H17N5O4S and molecular weight 435.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione
Also Known As: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(2-thienyl)-, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione, 8-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C21H17N5O4S |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 2.1753 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.10013 |
| Heavy Atoms | 31 |
| Complexity | 1603.2924 |
Chemical Identifiers
| CAS Number | 847367-14-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCCO5)C6=CC=CS6 |
Product Overview
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 847367-14-0), with molecular formula C21H17N5O4S and molecular weight 435.10 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Property Insights of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
The XLogP value of 2.1753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. The TPSA of 84.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. Following Lipinski's Rule of Five, 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione has 0 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 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The CAS number of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 847367-14-0.
What is the molecular formula of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular formula of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is C21H17N5O4S.
What is the molecular weight of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular weight of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 435.10 g/mol.
Where can I buy 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
You can request a quote for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.