(4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester
TL;DR: (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester (CAS 22004-02-0) is a chemical compound with molecular formula C16H17IN2O4 and molecular weight 428.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[4-(4-nitrophenoxy)carbonylphenyl]azanium iodide
Also Known As: (p-(p-Nitrophenoxycarbonyl)phenyl)trimethylammonium iodide, (4-carboxyphenyl)trimethylammonium 4-nitrophenyl Ester, (p-carboxyphenyl)trimethylammonium p-nitrophenyl ester, trimethyl-[4-(4-nitrophenoxy)carbonylphenyl]azanium;iodide, 4-(4'-Nitrophenoxycarbonyl)phenyltrimethylammonium iodide
| Molecular Formula | C16H17IN2O4 |
|---|---|
| Molecular Weight | 428.02 g/mol |
| LogP | 0.0147 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.0233 |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 22004-02-0 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[I-] |
| InChIKey | FGNCOZHWVSVEBI-UHFFFAOYSA-M |
Product Overview
(4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester (CAS 22004-02-0), with molecular formula C16H17IN2O4 and molecular weight 428.02 g/mol. IUPAC: trimethyl-[4-(4-nitrophenoxy)carbonylphenyl]azanium iodide.
Chemical Property Profile of (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester
Property Insights of (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester
The XLogP value of 0.0147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester. Following Lipinski's Rule of Five, (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 5 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-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester?
The CAS number of (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester is 22004-02-0.
What is the molecular formula of (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester?
The molecular formula of (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester is C16H17IN2O4.
What is the molecular weight of (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester?
The molecular weight of (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester is 428.02 g/mol.
Where can I buy (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester?
You can request a quote for (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Carboxyphenyl)trimethylammonium 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.