![8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid structure](/static/products/5164/516467-96-2.webp)
8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid
TL;DR: 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid (CAS 516467-96-2) is a chemical compound with molecular formula C26H16N2O7 and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[(4-nitrophenyl)carbamoyl]-8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene-11-carboxylic acid
Also Known As: 8-((4-nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid, 8-[(4-NITROANILINO)CARBONYL]TRIBENZO[B,E,G][1,4]DIOXOCINE-7-CARBOXYLIC ACID, 8-[(4-nitrophenyl)carbamoyl]tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid
| Molecular Formula | C26H16N2O7 |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 6.3153 |
| Topological Polar Surface Area | 135.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.09576 |
| Heavy Atoms | 35 |
| Complexity | 1696.2034 |
Chemical Identifiers
| CAS Number | 516467-96-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3OC4=C(O2)C=C(C(=C4)C(=O)O)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid (CAS 516467-96-2), with molecular formula C26H16N2O7 and molecular weight 468.10 g/mol. IUPAC: 12-[(4-nitrophenyl)carbamoyl]-8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene-11-carboxylic acid.
Chemical Property Profile of 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid
Property Insights of 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid
The XLogP value of 6.3153 indicates that 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid. Following Lipinski's Rule of Five, 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid?
The CAS number of 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid is 516467-96-2.
What is the molecular formula of 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid?
The molecular formula of 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid is C26H16N2O7.
What is the molecular weight of 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid?
The molecular weight of 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid is 468.10 g/mol.
Where can I buy 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid?
You can request a quote for 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-Nitrophenyl)carbamoyl)tribenzo[b,e,g][1,4]dioxocine-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.