7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione
TL;DR: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione (CAS 877796-00-4) is a chemical compound with molecular formula C13H21N5O3 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione
Also Known As: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione, 6-hydroxy-7-(2-hydroxyethyl)-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-2H-purin-2-one, 7-(2-hydroxyethyl)-8-(isopentylamino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(2-HYDROXYETHYL)-3-METHYL-8-[(3-METHYLBUTYL)AMINO]-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C13H21N5O3 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | -0.1264 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.16443 |
| Heavy Atoms | 21 |
| Complexity | 740.5703 |
Chemical Identifiers
| CAS Number | 877796-00-4 |
|---|---|
| SMILES | CC(C)CCNC1=NC2=C(N1CCO)C(=O)NC(=O)N2C |
Product Overview
7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione (CAS 877796-00-4), with molecular formula C13H21N5O3 and molecular weight 295.16 g/mol. IUPAC: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione
Property Insights of 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione
The XLogP value of -0.1264 indicates that 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione has 3 hydrogen bond donor(s) and 5 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-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione?
The CAS number of 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione is 877796-00-4.
What is the molecular formula of 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione?
The molecular formula of 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione is C13H21N5O3.
What is the molecular weight of 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione?
The molecular weight of 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione is 295.16 g/mol.
Where can I buy 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione?
You can request a quote for 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)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-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.