RefChem:1061675
TL;DR: RefChem:1061675 (CAS 69844-11-7) is a chemical compound with molecular formula C22H27ClN2O4 and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoyl]oxyethyl-diethylazanium chloride
Also Known As: Benzoic acid, 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-4,7-methano-2H-isoindol-2-yl)-, 2-(diethylamino)ethyl ester, monohydrochloride, 2-(Diethylamino)ethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate--hydrogen chloride (1/1), BENZOIC ACID, 4-(1,3-DIOXO-1,3,3a,4,7,7a-HEXAHYDRO-4,7-METHANO-2H-ISOINDOL-2-YL), RefChem:1061675
| Molecular Formula | C22H27ClN2O4 |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | -1.92 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.16592 |
| Heavy Atoms | 29 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 69844-11-7 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.[Cl-] |
| InChIKey | DXXLLRJZJFTPEU-UHFFFAOYSA-N |
Product Overview
RefChem:1061675 (CAS 69844-11-7), with molecular formula C22H27ClN2O4 and molecular weight 418.17 g/mol. IUPAC: 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:1061675
Property Insights of RefChem:1061675
The XLogP value of -1.92 indicates that RefChem:1061675 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:1061675. Following Lipinski's Rule of Five, RefChem:1061675 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:1061675?
The CAS number of RefChem:1061675 is 69844-11-7.
What is the molecular formula of RefChem:1061675?
The molecular formula of RefChem:1061675 is C22H27ClN2O4.
What is the molecular weight of RefChem:1061675?
The molecular weight of RefChem:1061675 is 418.17 g/mol.
Where can I buy RefChem:1061675?
You can request a quote for RefChem:1061675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061675?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.