![3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione structure](/static/products/896/896840-16-7.png)
3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
TL;DR: 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 896840-16-7) is a chemical compound with molecular formula C22H27N5O2 and molecular weight 393.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,8-trimethyl-2-(2-methylpropyl)-6-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5861752:001, 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 1,6,7-trimethyl-3-(2-methylpropyl)-8-(2-phenylethyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 4,7,8-trimethyl-2-(2-methylpropyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione, 1,6,7-trimethyl-3-(2-methylpropyl)-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazol ino[1,2-h]purine-2,4-dione
| Molecular Formula | C22H27N5O2 |
|---|---|
| Molecular Weight | 393.22 g/mol |
| LogP | 2.66494 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.21646 |
| Heavy Atoms | 29 |
| Complexity | 1319.2291 |
Chemical Identifiers
| CAS Number | 896840-16-7 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC(C)C)C)C |
Product Overview
3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione (CAS 896840-16-7), with molecular formula C22H27N5O2 and molecular weight 393.22 g/mol. IUPAC: 4,7,8-trimethyl-2-(2-methylpropyl)-6-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Property Insights of 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
The XLogP value of 2.66494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione. Following Lipinski's Rule of Five, 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione has 0 hydrogen bond donor(s) and 3 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 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The CAS number of 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 896840-16-7.
What is the molecular formula of 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular formula of 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is C22H27N5O2.
What is the molecular weight of 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
The molecular weight of 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione is 393.22 g/mol.
Where can I buy 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
You can request a quote for 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-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 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Isobutyl-1,6,7-trimethyl-8-phenethyl-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.