Ethyl (3-formyl-4-nitro-phenyl) carbonate
TL;DR: Ethyl (3-formyl-4-nitro-phenyl) carbonate (CAS 59342-81-3) is a chemical compound with molecular formula C10H9NO6 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3-formyl-4-nitrophenyl) carbonate
Also Known As: ethyl (3-formyl-4-nitro-phenyl) carbonate, ethyl (3-formyl-4-nitrophenyl) carbonate, 3-formyl-4-nitrophenyl ethyl carbonate, ETHYL 3-FORMYL-4-NITROPHENYL CARBONATE, 10.14272/XDSNNVUKVKTMCB-UHFFFAOYSA-N.1
| Molecular Formula | C10H9NO6 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.04298 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 59342-81-3 |
|---|---|
| SMILES | CCOC(=O)OC1=CC(=C(C=C1)[N+](=O)[O-])C=O |
| InChIKey | XDSNNVUKVKTMCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (3-formyl-4-nitro-phenyl) carbonate (CAS 59342-81-3), with molecular formula C10H9NO6 and molecular weight 239.04 g/mol. IUPAC: ethyl (3-formyl-4-nitrophenyl) carbonate.
Chemical Property Profile of Ethyl (3-formyl-4-nitro-phenyl) carbonate
Property Insights of Ethyl (3-formyl-4-nitro-phenyl) carbonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-formyl-4-nitro-phenyl) carbonate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3-formyl-4-nitro-phenyl) carbonate. Following Lipinski's Rule of Five, Ethyl (3-formyl-4-nitro-phenyl) 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 Ethyl (3-formyl-4-nitro-phenyl) carbonate?
The CAS number of Ethyl (3-formyl-4-nitro-phenyl) carbonate is 59342-81-3.
What is the molecular formula of Ethyl (3-formyl-4-nitro-phenyl) carbonate?
The molecular formula of Ethyl (3-formyl-4-nitro-phenyl) carbonate is C10H9NO6.
What is the molecular weight of Ethyl (3-formyl-4-nitro-phenyl) carbonate?
The molecular weight of Ethyl (3-formyl-4-nitro-phenyl) carbonate is 239.04 g/mol.
Where can I buy Ethyl (3-formyl-4-nitro-phenyl) carbonate?
You can request a quote for Ethyl (3-formyl-4-nitro-phenyl) carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-formyl-4-nitro-phenyl) carbonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-formyl-4-nitro-phenyl) carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.