4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate
TL;DR: 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate (CAS 81418-63-5) is a chemical compound with molecular formula C20H13N3O7 and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate
Also Known As: BAS 00127795, 4-((4-nitrobenzoyl)amino)phenyl 4-nitrobenzoate, 4-[(4-nitrobenzoyl)amino]phenyl 4-nitrobenzoate, [4-[(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate, 4-Nitro-benzoic acid 4-(4-nitro-benzoylamino)-phenyl ester
| Molecular Formula | C20H13N3O7 |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 3.9745 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.07535 |
| Heavy Atoms | 30 |
| Complexity | 1018.14685 |
Chemical Identifiers
| CAS Number | 81418-63-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate (CAS 81418-63-5), with molecular formula C20H13N3O7 and molecular weight 407.08 g/mol. IUPAC: [4-[(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate.
Chemical Property Profile of 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate
Property Insights of 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate
The XLogP value of 3.9745 indicates that 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.68 Ų indicates high polarity, suggesting 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate has 1 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 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate?
The CAS number of 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate is 81418-63-5.
What is the molecular formula of 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate?
The molecular formula of 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate is C20H13N3O7.
What is the molecular weight of 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate?
The molecular weight of 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate is 407.08 g/mol.
Where can I buy 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate?
You can request a quote for 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.