RefChem:239518
TL;DR: RefChem:239518 (CAS 134116-30-6) is a chemical compound with molecular formula C12H20ClN5O3 and molecular weight 317.12546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-(2-hydroxypropylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: (R,S)-1-N-(Theophyllinyl-7'-ethyl)amino-2-propanol hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((2-hydroxypropyl)amino)ethyl)-, monohydrochloride, (+-)-, 7-[2-(2-hydroxypropylamino)ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-{2-[(2-Hydroxypropyl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C12H20ClN5O3 |
| Molecular Weight | 317.12546 g/mol |
| XLogP | -1.1741 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.12546 Da |
| Heavy Atoms | 21 |
| Complexity | 391.0 |
| SMILES | CC(CNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O.Cl |
| InChIKey | UGNOITBBVZBZTP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239518
Property Insights of RefChem:239518
The XLogP value of -1.1741 indicates that RefChem:239518 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239518. Following Lipinski's Rule of Five, RefChem:239518 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
What is the CAS number of RefChem:239518?
The CAS number of RefChem:239518 is 134116-30-6.
What is the molecular formula of RefChem:239518?
The molecular formula of RefChem:239518 is C12H20ClN5O3.
What is the molecular weight of RefChem:239518?
The molecular weight of RefChem:239518 is 317.12546 g/mol.
Where can I buy RefChem:239518?
You can request a quote for RefChem:239518 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239518?
Yes, CoreyChem provides custom synthesis services for RefChem:239518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.