(R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline
TL;DR: (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline (CAS 119324-85-5) is a chemical compound with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[(2R)-1-hydroxybutan-2-yl]amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-, (R)-, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-8-((1-(hydroxymethyl)propyl)amino)-1,3,-dimethyl-, (R)-, 8-[[(2R)-1-hydroxybutan-2-yl]amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione, 8-{[(2R)-1-Hydroxybutan-2-yl]amino}-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H21N5O4 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | -1.3912 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15936 |
| Heavy Atoms | 22 |
| Complexity | 784.2951 |
Chemical Identifiers
| CAS Number | 119324-85-5 |
|---|---|
| SMILES | CC[C@H](CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C |
Product Overview
(R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline (CAS 119324-85-5), with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol. IUPAC: 8-[[(2R)-1-hydroxybutan-2-yl]amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline
Property Insights of (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline
The XLogP value of -1.3912 indicates that (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline. Following Lipinski's Rule of Five, (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline has 3 hydrogen bond donor(s) and 6 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 (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
The CAS number of (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline is 119324-85-5.
What is the molecular formula of (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
The molecular formula of (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline is C13H21N5O4.
What is the molecular weight of (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
The molecular weight of (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline is 311.16 g/mol.
Where can I buy (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
You can request a quote for (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
Yes, KEHONG BIO provides custom synthesis services for (R)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.