1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate
TL;DR: 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate (CAS 126480-52-2) is a chemical compound with molecular formula C13H19ClN6O3 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate, Morpholine, 4-(1-imino-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, hydrochloride, hydrate (1:1:1), 7-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride, 7-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione hydrochloride, 7-[2-Imino-2-(morpholin-4-yl)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
| Molecular Formula | C13H19ClN6O3 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | -0.83503 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.12073 |
| Heavy Atoms | 23 |
| Complexity | 845.7375 |
Chemical Identifiers
| CAS Number | 126480-52-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=N)N3CCOCC3.Cl |
Product Overview
1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate (CAS 126480-52-2), with molecular formula C13H19ClN6O3 and molecular weight 342.12 g/mol. IUPAC: 7-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate
Property Insights of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate
The XLogP value of -0.83503 indicates that 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate. Following Lipinski's Rule of Five, 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate has 1 hydrogen bond donor(s) and 5 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 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate?
The CAS number of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate is 126480-52-2.
What is the molecular formula of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate?
The molecular formula of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate is C13H19ClN6O3.
What is the molecular weight of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate?
The molecular weight of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate is 342.12 g/mol.
Where can I buy 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate?
You can request a quote for 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.