RefChem:1050850
TL;DR: RefChem:1050850 (CAS 69844-12-8) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethylaminomethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
Also Known As: Benzoic acid, 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-4,7-methano-2H-isoindol-2-yl)-, (diethylamino)methyl ester, (diethylamino)methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate, BENZOIC ACID, 3-(1,3-DIOXO-1,3,3a,4,7,7a-HEXAHYDRO-4,7-METHANO-2H-ISOINDOL-2-YL), RefChem:1050850
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 69844-12-8 |
|---|---|
| SMILES | CCN(CC)COC(=O)C1=CC(=CC=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 |
| InChIKey | ACVUVCRIUUCMBP-UHFFFAOYSA-N |
Product Overview
RefChem:1050850 (CAS 69844-12-8), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: diethylaminomethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate.
Chemical Property Profile of RefChem:1050850
Property Insights of RefChem:1050850
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1050850. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1050850. Following Lipinski's Rule of Five, RefChem:1050850 has 0 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:1050850?
The CAS number of RefChem:1050850 is 69844-12-8.
What is the molecular formula of RefChem:1050850?
The molecular formula of RefChem:1050850 is C21H24N2O4.
What is the molecular weight of RefChem:1050850?
The molecular weight of RefChem:1050850 is 368.17 g/mol.
Where can I buy RefChem:1050850?
You can request a quote for RefChem:1050850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1050850?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1050850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.