ChemDiv1_009939
TL;DR: ChemDiv1_009939 (CAS 438461-97-3) is a chemical compound with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-methylbutanoate
Also Known As: ChemDiv1_009939, BAS 00680546, 2-{4-nitrophenyl}-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-methylbutanoate, 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate, [2-(4-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-methylbutanoate
| Molecular Formula | C22H22N2O7 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.1524 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1427 |
| Heavy Atoms | 31 |
| Complexity | 967.6167 |
Chemical Identifiers
| CAS Number | 438461-97-3 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3C4CC(C3C2=O)C=C4 |
Product Overview
ChemDiv1_009939 (CAS 438461-97-3), with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-methylbutanoate.
Chemical Property Profile of ChemDiv1_009939
Property Insights of ChemDiv1_009939
The XLogP value of 2.1524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_009939. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009939. Following Lipinski's Rule of Five, ChemDiv1_009939 has 0 hydrogen bond donor(s) and 7 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_009939?
The CAS number of ChemDiv1_009939 is 438461-97-3.
What is the molecular formula of ChemDiv1_009939?
The molecular formula of ChemDiv1_009939 is C22H22N2O7.
What is the molecular weight of ChemDiv1_009939?
The molecular weight of ChemDiv1_009939 is 426.14 g/mol.
Where can I buy ChemDiv1_009939?
You can request a quote for ChemDiv1_009939 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009939?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009939 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.