7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-77-0) is a chemical compound with molecular formula C13H21N5O2 and molecular weight 279.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-3-methyl-8-(propylamino)purine-2,6-dione
Also Known As: 7-butyl-3-methyl-8-(propylamino)purine-2,6-dione, 7-butyl-3-methyl-8-(propylamino)xanthine, 7-butyl-3-methyl-8-(propylamino)-1H-purine-2,6(3H,7H)-dione, 7-butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione, 7-butyl-6-hydroxy-3-methyl-8-(propylamino)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C13H21N5O2 |
|---|---|
| Molecular Weight | 279.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.16953 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 476480-77-0 |
|---|---|
| SMILES | CCCCN1C2=C(N=C1NCCC)N(C(=O)NC2=O)C |
| InChIKey | DSDBIQSCSNPLHP-UHFFFAOYSA-N |
Product Overview
7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione (CAS 476480-77-0), with molecular formula C13H21N5O2 and molecular weight 279.17 g/mol. IUPAC: 7-butyl-3-methyl-8-(propylamino)purine-2,6-dione.
Chemical Property Profile of 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-Butyl-3-methyl-8-(propylamino)-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-(propylamino)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione is 476480-77-0.
What is the molecular formula of 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione is C13H21N5O2.
What is the molecular weight of 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione is 279.17 g/mol.
Where can I buy 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-Butyl-3-methyl-8-(propylamino)-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-(propylamino)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Butyl-3-methyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.