Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride
TL;DR: Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride (CAS 52943-58-5) is a chemical compound with molecular formula C17H30ClN5O2 and molecular weight 371.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione;hydrochloride
Also Known As: 7-(2-(1,5-Dimethylhexylamino)ethyl)theophylline monohydrochloride, Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride, 1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione hydrochloride, 1,3-Dimethyl-7-{2-[(6-methylheptan-2-yl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:384373
| Molecular Formula | C17H30ClN5O2 |
|---|---|
| Molecular Weight | 371.21 g/mol |
| LogP | 1.6599 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 371.2088 |
| Heavy Atoms | 25 |
| Complexity | 805.6967 |
Chemical Identifiers
| CAS Number | 52943-58-5 |
|---|---|
| SMILES | CC(C)CCCC(C)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl |
Product Overview
Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride (CAS 52943-58-5), with molecular formula C17H30ClN5O2 and molecular weight 371.21 g/mol. IUPAC: 1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione;hydrochloride.
Chemical Property Profile of Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride
Property Insights of Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride
The XLogP value of 1.6599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 4 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 Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride?
The CAS number of Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride is 52943-58-5.
What is the molecular formula of Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride?
The molecular formula of Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride is C17H30ClN5O2.
What is the molecular weight of Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride?
The molecular weight of Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride is 371.21 g/mol.
Where can I buy Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride?
You can request a quote for Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(1,5-dimethylhexylamino)ethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.