Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride
TL;DR: Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride (CAS 964-56-7) is a chemical compound with molecular formula C13H20ClN5O2 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(1-methylpiperidin-4-yl)-7H-purine-2,6-dione;hydrochloride
Also Known As: KST-1A9320, 8-(1-Methyl-4-piperidyl)theophylline hydrochloride, Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride, Chlorhydrate de N methyl piperidyl-4' theophylline [French], Chlorhydrate de N methyl piperidyl-4' theophylline
| Molecular Formula | C13H20ClN5O2 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 0.19 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.13055 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 964-56-7 |
|---|---|
| SMILES | CN1CCC(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C.Cl |
| InChIKey | HQIAWTXPQSYAPS-UHFFFAOYSA-N |
Product Overview
Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride (CAS 964-56-7), with molecular formula C13H20ClN5O2 and molecular weight 313.13 g/mol. IUPAC: 1,3-dimethyl-8-(1-methylpiperidin-4-yl)-7H-purine-2,6-dione;hydrochloride.
Chemical Property Profile of Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride
Property Insights of Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride
The XLogP value of 0.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride. Following Lipinski's Rule of Five, Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride has 2 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, 8-(1-methyl-4-piperidyl)-, hydrochloride?
The CAS number of Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride is 964-56-7.
What is the molecular formula of Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride?
The molecular formula of Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride is C13H20ClN5O2.
What is the molecular weight of Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride?
The molecular weight of Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride is 313.13 g/mol.
Where can I buy Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride?
You can request a quote for Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-(1-methyl-4-piperidyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.