4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane
TL;DR: 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane (CAS 80020-23-1) is a chemical compound with molecular formula C16H23N5O5 and molecular weight 365.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[[4-(morpholin-4-ylmethyl)-1,3-dioxolan-2-yl]methyl]purine-2,6-dione
Also Known As: 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-((4-(4-morpholinylmethyl)-1,3-dioxolan-2-yl)methyl)-, 1,3-dimethyl-7-[[4-(morpholin-4-ylmethyl)-1,3-dioxolan-2-yl]methyl]purine-2,6-dione, 1,3-Dimethyl-7-((4-(morpholinomethyl)-1,3-dioxolan-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 1,3-Dimethyl-7-({4-[(morpholin-4-yl)methyl]-1,3-dioxolan-2-yl}methyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H23N5O5 |
|---|---|
| Molecular Weight | 365.17 g/mol |
| LogP | -1.4926 |
| Topological Polar Surface Area | 92.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.16992 |
| Heavy Atoms | 26 |
| Complexity | 910.1168 |
Chemical Identifiers
| CAS Number | 80020-23-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCC(O3)CN4CCOCC4 |
Product Overview
4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane (CAS 80020-23-1), with molecular formula C16H23N5O5 and molecular weight 365.17 g/mol. IUPAC: 1,3-dimethyl-7-[[4-(morpholin-4-ylmethyl)-1,3-dioxolan-2-yl]methyl]purine-2,6-dione.
Chemical Property Profile of 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane
Property Insights of 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane
The XLogP value of -1.4926 indicates that 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane. Following Lipinski's Rule of Five, 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane has 0 hydrogen bond donor(s) and 7 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 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane?
The CAS number of 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane is 80020-23-1.
What is the molecular formula of 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane?
The molecular formula of 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane is C16H23N5O5.
What is the molecular weight of 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane?
The molecular weight of 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane is 365.17 g/mol.
Where can I buy 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane?
You can request a quote for 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholinomethyl-2-(7'-theophyllinylmethyl)-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.