RefChem:1061676
TL;DR: RefChem:1061676 (CAS 61356-11-4) is a chemical compound with molecular formula C21H27ClN2O4 and molecular weight 406.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoyl]oxyethyl-diethylazanium chloride
Also Known As: 2-[4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoyl]oxyethyl-diethylazanium chloride, Benzoic acid, 4-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-, 2-(diethylamino)ethyl ester, monohydrochloride, 2-(Diethylamino)ethyl 4-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)benzoate--hydrogen chloride (1/1), BENZOIC ACID, 4-(1,3,4,5,6,7-HEXAHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)-, 2-(DIETHYLA, RefChem:1061676
| Molecular Formula | C21H27ClN2O4 |
|---|---|
| Molecular Weight | 406.17 g/mol |
| LogP | -1.48 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.16592 |
| Heavy Atoms | 28 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 61356-11-4 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)CCCC3.[Cl-] |
| InChIKey | TYBOBSQAPMLRHT-UHFFFAOYSA-N |
Product Overview
RefChem:1061676 (CAS 61356-11-4), with molecular formula C21H27ClN2O4 and molecular weight 406.17 g/mol. IUPAC: 2-[4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzoyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:1061676
Property Insights of RefChem:1061676
The XLogP value of -1.48 indicates that RefChem:1061676 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1061676. Following Lipinski's Rule of Five, RefChem:1061676 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 RefChem:1061676?
The CAS number of RefChem:1061676 is 61356-11-4.
What is the molecular formula of RefChem:1061676?
The molecular formula of RefChem:1061676 is C21H27ClN2O4.
What is the molecular weight of RefChem:1061676?
The molecular weight of RefChem:1061676 is 406.17 g/mol.
Where can I buy RefChem:1061676?
You can request a quote for RefChem:1061676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061676?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.