![6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione structure](/static/products/896/896074-80-9.png)
6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
TL;DR: 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione (CAS 896074-80-9) is a chemical compound with molecular formula C13H17N5O2 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5805117:001, 6-butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-butyl-1,7-dimethyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4-dione, 8-butyl-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-butyl-4-hydroxy-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
| Molecular Formula | C13H17N5O2 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 0.78452 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.1382 |
| Heavy Atoms | 20 |
| Complexity | 908.7528 |
Chemical Identifiers
| CAS Number | 896074-80-9 |
|---|---|
| SMILES | CCCCN1C(=CN2C1=NC3=C2C(=O)NC(=O)N3C)C |
Product Overview
6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione (CAS 896074-80-9), with molecular formula C13H17N5O2 and molecular weight 275.14 g/mol. IUPAC: 6-butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Property Insights of 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
The XLogP value of 0.78452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione. Following Lipinski's Rule of Five, 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione has 1 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 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The CAS number of 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is 896074-80-9.
What is the molecular formula of 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The molecular formula of 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is C13H17N5O2.
What is the molecular weight of 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The molecular weight of 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is 275.14 g/mol.
Where can I buy 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
You can request a quote for 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Butyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.