7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-75-8) is a chemical compound with molecular formula C11H17N5O2 and molecular weight 251.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-3-methyl-8-(methylamino)purine-2,6-dione
Also Known As: 7-butyl-3-methyl-8-(methylamino)purine-2,6-dione, 7-butyl-6-hydroxy-3-methyl-8-(methylamino)-3,7-dihydro-2H-purin-2-one, 7-butyl-3-methyl-8-(methylamino)-1H-purine-2,6(3H,7H)-dione, 7-butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione, 631-676-0
| Molecular Formula | C11H17N5O2 |
|---|---|
| Molecular Weight | 251.14 g/mol |
| LogP | 0.2651 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.13823 |
| Heavy Atoms | 18 |
| Complexity | 679.024 |
Chemical Identifiers
| CAS Number | 476480-75-8 |
|---|---|
| SMILES | CCCCN1C2=C(N=C1NC)N(C(=O)NC2=O)C |
Product Overview
7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-75-8), with molecular formula C11H17N5O2 and molecular weight 251.14 g/mol. IUPAC: 7-butyl-3-methyl-8-(methylamino)purine-2,6-dione.
Chemical Property Profile of 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.2651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 4 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 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione is 476480-75-8.
What is the molecular formula of 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione is C11H17N5O2.
What is the molecular weight of 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione is 251.14 g/mol.
Where can I buy 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Butyl-3-methyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.