2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯
TL;DR: 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 (CAS 10556-88-4) is a chemical compound with molecular formula C20H14N2O6 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯
4-(diphenylcarbamoyloxy)-3-nitrobenzoic acid
Also Known As: NCDC, Ncp-dpcm, 2-Ncdc, 2-nitro-4-carboxyphenyl-N,N-diphenylcarbamate, 4-((Diphenylcarbamoyl)oxy)-3-nitrobenzoic acid
| Molecular Formula | C20H14N2O6 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.08517 |
| Heavy Atoms | 28 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 10556-88-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] |
| InChIKey | RLNYDAFUTZRAIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 (CAS 10556-88-4), with molecular formula C20H14N2O6 and molecular weight 378.09 g/mol. IUPAC: 4-(diphenylcarbamoyloxy)-3-nitrobenzoic acid.
Chemical Property Profile of 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯
Property Insights of 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯
The XLogP value of 4.2 indicates that 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯. Following Lipinski's Rule of Five, 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 has 1 hydrogen bond donor(s) and 6 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 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯?
The CAS number of 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 is 10556-88-4.
What is the molecular formula of 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯?
The molecular formula of 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 is C20H14N2O6.
What is the molecular weight of 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯?
The molecular weight of 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 is 378.09 g/mol.
Where can I buy 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯?
You can request a quote for 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基-4-羧基苯基-N,N-二苯基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.