BAS 00680523
TL;DR: BAS 00680523 (CAS 497922-70-0) is a chemical compound with molecular formula C24H18N2O7 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
Also Known As: BAS 00680523, 2-{3-nitrophenyl}-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate, 2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate, [2-(3-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
| Molecular Formula | C24H18N2O7 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 2.946 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1114 |
| Heavy Atoms | 33 |
| Complexity | 1220.8788 |
Chemical Identifiers
| CAS Number | 497922-70-0 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4C(=O)OCC(=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
BAS 00680523 (CAS 497922-70-0), with molecular formula C24H18N2O7 and molecular weight 446.11 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate.
Chemical Property Profile of BAS 00680523
Property Insights of BAS 00680523
The XLogP value of 2.946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00680523. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00680523. Following Lipinski's Rule of Five, BAS 00680523 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 BAS 00680523?
The CAS number of BAS 00680523 is 497922-70-0.
What is the molecular formula of BAS 00680523?
The molecular formula of BAS 00680523 is C24H18N2O7.
What is the molecular weight of BAS 00680523?
The molecular weight of BAS 00680523 is 446.11 g/mol.
Where can I buy BAS 00680523?
You can request a quote for BAS 00680523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00680523?
Yes, KEHONG BIO provides custom synthesis services for BAS 00680523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.