![1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione structure](/static/products/714/714923-84-9.png)
1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
TL;DR: 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 714923-84-9) is a chemical compound with molecular formula C21H17N7O4 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-7-(4-nitrophenyl)-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 2,4-dimethyl-7-(4-nitrophenyl)-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C21H17N7O4 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 1.7049 |
| Topological Polar Surface Area | 122.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.13422 |
| Heavy Atoms | 32 |
| Complexity | 1623.311 |
Chemical Identifiers
| CAS Number | 714923-84-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 714923-84-9), with molecular formula C21H17N7O4 and molecular weight 431.13 g/mol. IUPAC: 2,4-dimethyl-7-(4-nitrophenyl)-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Property Insights of 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
The XLogP value of 1.7049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. The TPSA of 122.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-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 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The CAS number of 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 714923-84-9.
What is the molecular formula of 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular formula of 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is C21H17N7O4.
What is the molecular weight of 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular weight of 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 431.13 g/mol.
Where can I buy 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
You can request a quote for 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-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 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(4-nitrophenyl)-8-(pyridin-3-ylmethyl)-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.