3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate
TL;DR: 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate (CAS 690689-15-7) is a chemical compound with molecular formula C26H21NO7 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 3-nitrobenzoate
Also Known As: 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate, [3-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 3-nitrobenzoate
| Molecular Formula | C26H21NO7 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.942 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.1318 |
| Heavy Atoms | 34 |
| Complexity | 1261.7323 |
Chemical Identifiers
| CAS Number | 690689-15-7 |
|---|---|
| SMILES | C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)C1 |
Product Overview
3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate (CAS 690689-15-7), with molecular formula C26H21NO7 and molecular weight 459.13 g/mol. IUPAC: [3-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 3-nitrobenzoate.
Chemical Property Profile of 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate
Property Insights of 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate
The XLogP value of 4.942 indicates that 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate 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 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate?
The CAS number of 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate is 690689-15-7.
What is the molecular formula of 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate?
The molecular formula of 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate is C26H21NO7.
What is the molecular weight of 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate?
The molecular weight of 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate is 459.13 g/mol.
Where can I buy 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate?
You can request a quote for 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.