7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476481-40-0) is a chemical compound with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 06502957, 7-(2-hydroxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione, 7-(2-Hydroxy-ethyl)-3-methyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione, 6-hydroxy-7-(2-hydroxyethyl)-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one, 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C12H17N5O3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | -0.9842 |
| Topological Polar Surface Area | 96.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.13315 |
| Heavy Atoms | 20 |
| Complexity | 750.76416 |
Chemical Identifiers
| CAS Number | 476481-40-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCO |
Product Overview
7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476481-40-0), with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol. IUPAC: 7-(2-hydroxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.9842 indicates that 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione has 2 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-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione is 476481-40-0.
What is the molecular formula of 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione is C12H17N5O3.
What is the molecular weight of 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione is 279.13 g/mol.
Where can I buy 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-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-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Hydroxyethyl)-3-methyl-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.