Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate
TL;DR: Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate (CAS 91901-71-2) is a chemical compound with molecular formula C13H11NO5 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate
Also Known As: Ethyl 3-hydroxy-4-nitro-2-naphthoate, ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate, 1-nitro-2-hydroxy-3-naphthoic acid, 2-Naphthoic acid,3-hydroxy-4-nitro
| Molecular Formula | C13H11NO5 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.06372 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 91901-71-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2C(=C1O)[N+](=O)[O-] |
| InChIKey | CNIAAYLKBIGAOG-UHFFFAOYSA-N |
Product Overview
Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate (CAS 91901-71-2), with molecular formula C13H11NO5 and molecular weight 261.06 g/mol. IUPAC: ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate.
Chemical Property Profile of Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate
Property Insights of Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate
The XLogP value of 3.4 indicates that Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate has 1 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 3-hydroxy-4-nitronaphthalene-2-carboxylate?
The CAS number of Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate is 91901-71-2.
What is the molecular formula of Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate?
The molecular formula of Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate is C13H11NO5.
What is the molecular weight of Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate?
The molecular weight of Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate is 261.06 g/mol.
Where can I buy Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate?
You can request a quote for Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-4-nitronaphthalene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.