Ethyl 4-nitrophenyl carbonate
TL;DR: Ethyl 4-nitrophenyl carbonate (CAS 6132-45-2) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4-nitrophenyl) carbonate
Also Known As: Ethyl 4-nitrophenyl carbonate, ethyl (4-nitrophenyl) carbonate, starbld0028563, Ethyl p-nitrophenyl carbonate, Ethyl 4-nitrophenyl carbonate #
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 6132-45-2 |
|---|---|
| SMILES | CCOC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | OFJLSOXXIMLDDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-nitrophenyl carbonate (CAS 6132-45-2), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: ethyl (4-nitrophenyl) carbonate.
Chemical Property Profile of Ethyl 4-nitrophenyl carbonate
Property Insights of Ethyl 4-nitrophenyl carbonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrophenyl carbonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrophenyl carbonate. Following Lipinski's Rule of Five, Ethyl 4-nitrophenyl carbonate 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 Ethyl 4-nitrophenyl carbonate?
The CAS number of Ethyl 4-nitrophenyl carbonate is 6132-45-2.
What is the molecular formula of Ethyl 4-nitrophenyl carbonate?
The molecular formula of Ethyl 4-nitrophenyl carbonate is C9H9NO5.
What is the molecular weight of Ethyl 4-nitrophenyl carbonate?
The molecular weight of Ethyl 4-nitrophenyl carbonate is 211.05 g/mol.
Where can I buy Ethyl 4-nitrophenyl carbonate?
You can request a quote for Ethyl 4-nitrophenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitrophenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrophenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.