RefChem:384459
TL;DR: RefChem:384459 (CAS 105319-54-8) is a chemical compound with molecular formula C24H37Cl2N7O4 and molecular weight 557.2284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(benzylamino)-7-[2-hydroxy-3-[4-(2-hydroxypropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: 8-(Benzylamino)-7-(2-hydroxy-3-(4-(2-hydroxypropyl)-1-piperazinyl)propyl)theophylline 2HCl, Theophylline, 8-(benzylamino)-7-(2-hydroxy-3-(4-(2-hydroxypropyl)-1-piperazinyl)propyl)-, dihydrochloride, 8-(benzylamino)-7-[2-hydroxy-3-[4-(2-hydroxypropyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione dihydrochloride, 8-(Benzylimino)-7-{2-hydroxy-3-[4-(2-hydroxypropyl)piperazin-1-yl]propyl}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C24H37Cl2N7O4 |
| Molecular Weight | 557.2284 g/mol |
| XLogP | 0.2487 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 557.2284 Da |
| Heavy Atoms | 37 |
| Complexity | 729.0 |
| SMILES | CC(CN1CCN(CC1)CC(CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O)O.Cl.Cl |
| InChIKey | BSNYXOKFOOYPIP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:384459
Property Insights of RefChem:384459
The XLogP value of 0.2487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:384459. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:384459. Following Lipinski's Rule of Five, RefChem:384459 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:384459?
The CAS number of RefChem:384459 is 105319-54-8.
What is the molecular formula of RefChem:384459?
The molecular formula of RefChem:384459 is C24H37Cl2N7O4.
What is the molecular weight of RefChem:384459?
The molecular weight of RefChem:384459 is 557.2284 g/mol.
Where can I buy RefChem:384459?
You can request a quote for RefChem:384459 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:384459?
Yes, CoreyChem provides custom synthesis services for RefChem:384459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.