9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate
TL;DR: 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate (CAS 14656-20-3) is a chemical compound with molecular formula C29H33N5O5 and molecular weight 531.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine
Also Known As: 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate, 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, 7-theophyllinylacetate, 9-(2-(Dimethylamino)ethoxy)-9,10-dihydro-9,10-ethanoanthracene 7-theophyllinylacetate, (1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid--2-[(9,10-dihydro-9,10-ethanoanthracen-11-yl)oxy]-N,N-dimethylethan-1-amine (1/1), Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with 2-[(9,10-dihydro-9,10-ethanoanthracen-11-yl)oxy]-N,N-dimethylethylamine (1:1)
| Molecular Formula | C29H33N5O5 |
|---|---|
| Molecular Weight | 531.25 g/mol |
| LogP | 2.1326 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.24817 |
| Heavy Atoms | 39 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 14656-20-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN(C)CCOC1CC2C3=CC=CC=C3C1C4=CC=CC=C24 |
| InChIKey | OOVULSHFIKZQGX-UHFFFAOYSA-N |
Product Overview
9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate (CAS 14656-20-3), with molecular formula C29H33N5O5 and molecular weight 531.25 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethanamine.
Chemical Property Profile of 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate
Property Insights of 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate
The XLogP value of 2.1326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate. Following Lipinski's Rule of Five, 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate?
The CAS number of 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate is 14656-20-3.
What is the molecular formula of 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate?
The molecular formula of 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate is C29H33N5O5.
What is the molecular weight of 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate?
The molecular weight of 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate is 531.25 g/mol.
Where can I buy 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate?
You can request a quote for 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.