RefChem:1069698
TL;DR: RefChem:1069698 (CAS 69844-10-6) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N,N-diethylbenzamide
Also Known As: BAS 01217054, 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N,N-diethylbenzamide, N,N-Diethyl-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-4,7-methano-2H-isoindol-2-yl)benzamide, A2542/0108203, Benzamide, N,N-diethyl-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-4,7-methano-2H-isoindol-2-yl)-
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 69844-10-6 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 |
| InChIKey | PCKWFXPZWIADJV-UHFFFAOYSA-N |
Product Overview
RefChem:1069698 (CAS 69844-10-6), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N,N-diethylbenzamide.
Chemical Property Profile of RefChem:1069698
Property Insights of RefChem:1069698
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1069698. With a topological polar surface area (TPSA) of 57.7 Ų, RefChem:1069698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1069698 has 0 hydrogen bond donor(s) and 3 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:1069698?
The CAS number of RefChem:1069698 is 69844-10-6.
What is the molecular formula of RefChem:1069698?
The molecular formula of RefChem:1069698 is C20H22N2O3.
What is the molecular weight of RefChem:1069698?
The molecular weight of RefChem:1069698 is 338.16 g/mol.
Where can I buy RefChem:1069698?
You can request a quote for RefChem:1069698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069698?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.