4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate
TL;DR: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 69844-16-2) is a chemical compound with molecular formula C27H34N2O10 and molecular weight 546.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[2-(diethylamino)ethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-{3-[2-(diethylamino)ethoxy]phenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (1/1), RefChem:286123
| Molecular Formula | C27H34N2O10 |
|---|---|
| Molecular Weight | 546.22 g/mol |
| LogP | 1.4702 |
| Topological Polar Surface Area | 181.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 546.2214 |
| Heavy Atoms | 39 |
| Complexity | 1099.1318 |
Chemical Identifiers
| CAS Number | 69844-16-2 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 69844-16-2), with molecular formula C27H34N2O10 and molecular weight 546.22 g/mol. IUPAC: 4-[3-[2-(diethylamino)ethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate
Property Insights of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate
The XLogP value of 1.4702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate. The TPSA of 181.98 Ų indicates high polarity, suggesting 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The CAS number of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate is 69844-16-2.
What is the molecular formula of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular formula of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate is C27H34N2O10.
What is the molecular weight of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular weight of 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate is 546.22 g/mol.
Where can I buy 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
You can request a quote for 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(2-(diethylamino)ethoxy)phenyl)-, 2-hydroxy-1,2,3-propanetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.