Methyl 3-hydroxy-4-nitro-2-naphthoate
TL;DR: Methyl 3-hydroxy-4-nitro-2-naphthoate (CAS 6078-15-5) is a chemical compound with molecular formula C12H9NO5 and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-4-nitronaphthalene-2-carboxylate
Also Known As: Methyl 3-hydroxy-4-nitro-2-naphthoate, methyl 3-hydroxy-4-nitronaphthalene-2-carboxylate, Methyl3-hydroxy-4-nitro-2-naphthoate, Methyl 3-hydroxy-4-nitro-2-naphthoate #, 2-Naphthalenecarboxylic acid, 3-hydroxy-4-nitro-, methyl ester
| Molecular Formula | C12H9NO5 |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04807 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 6078-15-5 |
|---|---|
| SMILES | COC(=O)C1=CC2=CC=CC=C2C(=C1O)[N+](=O)[O-] |
| InChIKey | SMEAMGOZNIOEDU-UHFFFAOYSA-N |
Product Overview
Methyl 3-hydroxy-4-nitro-2-naphthoate (CAS 6078-15-5), with molecular formula C12H9NO5 and molecular weight 247.05 g/mol. IUPAC: methyl 3-hydroxy-4-nitronaphthalene-2-carboxylate.
Chemical Property Profile of Methyl 3-hydroxy-4-nitro-2-naphthoate
Property Insights of Methyl 3-hydroxy-4-nitro-2-naphthoate
The XLogP value of 3.0 indicates that Methyl 3-hydroxy-4-nitro-2-naphthoate 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 Methyl 3-hydroxy-4-nitro-2-naphthoate. Following Lipinski's Rule of Five, Methyl 3-hydroxy-4-nitro-2-naphthoate 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 Methyl 3-hydroxy-4-nitro-2-naphthoate?
The CAS number of Methyl 3-hydroxy-4-nitro-2-naphthoate is 6078-15-5.
What is the molecular formula of Methyl 3-hydroxy-4-nitro-2-naphthoate?
The molecular formula of Methyl 3-hydroxy-4-nitro-2-naphthoate is C12H9NO5.
What is the molecular weight of Methyl 3-hydroxy-4-nitro-2-naphthoate?
The molecular weight of Methyl 3-hydroxy-4-nitro-2-naphthoate is 247.05 g/mol.
Where can I buy Methyl 3-hydroxy-4-nitro-2-naphthoate?
You can request a quote for Methyl 3-hydroxy-4-nitro-2-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxy-4-nitro-2-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-4-nitro-2-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.