4-nitrophenyl N-trimethylammonioethyl carbonate
TL;DR: 4-nitrophenyl N-trimethylammonioethyl carbonate (CAS 104407-34-3) is a chemical compound with molecular formula C12H17ClN2O5 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(4-nitrophenoxy)carbonyloxyethyl]azanium chloride
Also Known As: p-Nitrophenyl-tma-carbonate, p-Nitrophenyl-tma-carbonate chloride, 4-Nitrophenyl N-trimethylammonioethyl carbonate, p-Nitrophenyl N-trimethylammonioethyl carbonate, trimethyl-[2-(4-nitrophenoxy)carbonyloxyethyl]azanium chloride
| Molecular Formula | C12H17ClN2O5 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | -1.1796 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.0826 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 104407-34-3 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-].[Cl-] |
| InChIKey | XIPRCCIULKVREJ-UHFFFAOYSA-M |
Product Overview
4-nitrophenyl N-trimethylammonioethyl carbonate (CAS 104407-34-3), with molecular formula C12H17ClN2O5 and molecular weight 304.08 g/mol. IUPAC: trimethyl-[2-(4-nitrophenoxy)carbonyloxyethyl]azanium chloride.
Chemical Property Profile of 4-nitrophenyl N-trimethylammonioethyl carbonate
Property Insights of 4-nitrophenyl N-trimethylammonioethyl carbonate
The XLogP value of -1.1796 indicates that 4-nitrophenyl N-trimethylammonioethyl carbonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrophenyl N-trimethylammonioethyl carbonate. Following Lipinski's Rule of Five, 4-nitrophenyl N-trimethylammonioethyl carbonate has 0 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 4-nitrophenyl N-trimethylammonioethyl carbonate?
The CAS number of 4-nitrophenyl N-trimethylammonioethyl carbonate is 104407-34-3.
What is the molecular formula of 4-nitrophenyl N-trimethylammonioethyl carbonate?
The molecular formula of 4-nitrophenyl N-trimethylammonioethyl carbonate is C12H17ClN2O5.
What is the molecular weight of 4-nitrophenyl N-trimethylammonioethyl carbonate?
The molecular weight of 4-nitrophenyl N-trimethylammonioethyl carbonate is 304.08 g/mol.
Where can I buy 4-nitrophenyl N-trimethylammonioethyl carbonate?
You can request a quote for 4-nitrophenyl N-trimethylammonioethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrophenyl N-trimethylammonioethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrophenyl N-trimethylammonioethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.