(S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline
TL;DR: (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline (CAS 119324-86-6) is a chemical compound with molecular formula C13H21N5O4 and molecular weight 311.15936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[[(2S)-1-hydroxybutan-2-yl]amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: (S)-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)-, (S)-, 8-[[(2S)-1-hydroxybutan-2-yl]amino]-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C13H21N5O4 |
| Molecular Weight | 311.15936 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15936 Da |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
| SMILES | CC[C@@H](CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C |
| InChIKey | GPEWINMGNPPOCM-QMMMGPOBSA-N |
Chemical Property Profile of (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline
Property Insights of (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline
The XLogP value of -0.6 indicates that (S)-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 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline. Following Lipinski's Rule of Five, (S)-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
What is the CAS number of (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
The CAS number of (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline is 119324-86-6.
What is the molecular formula of (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
The molecular formula of (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline is C13H21N5O4.
What is the molecular weight of (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
The molecular weight of (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline is 311.15936 g/mol.
Where can I buy (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
You can request a quote for (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline?
Yes, CoreyChem provides custom synthesis services for (S)-7-beta-Hydroxyethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.