ChemDiv1_006626
TL;DR: ChemDiv1_006626 (CAS 94850-21-2) is a chemical compound with molecular formula C23H22N2O6 and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxylate
Also Known As: ChemDiv1_006626, BAS 02078178, AI-981/09942011, ethyl 3-(2-(1,3-dioxoisoindolin-2-yl)ethyl)-5,7-dimethoxy-1H-indole-2-carboxylate, ethyl 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxylate
| Molecular Formula | C23H22N2O6 |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 3.2005 |
| Topological Polar Surface Area | 97.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1478 |
| Heavy Atoms | 31 |
| Complexity | 1161.24 |
Chemical Identifiers
| CAS Number | 94850-21-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C(=CC(=C2)OC)OC)CCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
ChemDiv1_006626 (CAS 94850-21-2), with molecular formula C23H22N2O6 and molecular weight 422.15 g/mol. IUPAC: ethyl 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,7-dimethoxy-1H-indole-2-carboxylate.
Chemical Property Profile of ChemDiv1_006626
Property Insights of ChemDiv1_006626
The XLogP value of 3.2005 indicates that ChemDiv1_006626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006626. Following Lipinski's Rule of Five, ChemDiv1_006626 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_006626?
The CAS number of ChemDiv1_006626 is 94850-21-2.
What is the molecular formula of ChemDiv1_006626?
The molecular formula of ChemDiv1_006626 is C23H22N2O6.
What is the molecular weight of ChemDiv1_006626?
The molecular weight of ChemDiv1_006626 is 422.15 g/mol.
Where can I buy ChemDiv1_006626?
You can request a quote for ChemDiv1_006626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006626?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.