RefChem:239519
TL;DR: RefChem:239519 (CAS 134116-31-7) is a chemical compound with molecular formula C13H22ClN5O3 and molecular weight 331.1411 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-[2-hydroxypropyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: (R,S)-1-N-(Theophyllinyl-7'-ethyl)-1-methylamino-2-propanol hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((2-hydroxypropyl)methylamino)ethyl)-, monohydrochloride, (+-)-, 7-[2-[2-hydroxypropyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-{2-[(2-Hydroxypropyl)(methyl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C13H22ClN5O3 |
| Molecular Weight | 331.1411 g/mol |
| XLogP | -0.8319 |
| Topological Polar Surface Area (TPSA) | 81.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1411 Da |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
| SMILES | CC(CN(C)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O.Cl |
| InChIKey | HBXBPPDOQYNYDG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239519
Property Insights of RefChem:239519
The XLogP value of -0.8319 indicates that RefChem:239519 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239519. Following Lipinski's Rule of Five, RefChem:239519 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
What is the CAS number of RefChem:239519?
The CAS number of RefChem:239519 is 134116-31-7.
What is the molecular formula of RefChem:239519?
The molecular formula of RefChem:239519 is C13H22ClN5O3.
What is the molecular weight of RefChem:239519?
The molecular weight of RefChem:239519 is 331.1411 g/mol.
Where can I buy RefChem:239519?
You can request a quote for RefChem:239519 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239519?
Yes, CoreyChem provides custom synthesis services for RefChem:239519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.