Methyl 3-hydroxy-5-nitrobenzoate
TL;DR: Methyl 3-hydroxy-5-nitrobenzoate (CAS 55076-32-9) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-5-nitrobenzoate
Also Known As: Methyl 3-hydroxy-5-nitrobenzoate, methyl 3-hydroxy-5-nitro-benzoate, Benzoic acid, methyl ester, Benzoic acid, 3-hydroxy-5-nitro-, methyl ester, Methyl3-hydroxy-5-nitrobenzoate
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 55076-32-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)O)[N+](=O)[O-] |
| InChIKey | HTYJYEKZUXJKKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxy-5-nitrobenzoate (CAS 55076-32-9), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: methyl 3-hydroxy-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-hydroxy-5-nitrobenzoate
Property Insights of Methyl 3-hydroxy-5-nitrobenzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-5-nitrobenzoate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-hydroxy-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-hydroxy-5-nitrobenzoate 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-5-nitrobenzoate?
The CAS number of Methyl 3-hydroxy-5-nitrobenzoate is 55076-32-9.
What is the molecular formula of Methyl 3-hydroxy-5-nitrobenzoate?
The molecular formula of Methyl 3-hydroxy-5-nitrobenzoate is C8H7NO5.
What is the molecular weight of Methyl 3-hydroxy-5-nitrobenzoate?
The molecular weight of Methyl 3-hydroxy-5-nitrobenzoate is 197.03 g/mol.
Where can I buy Methyl 3-hydroxy-5-nitrobenzoate?
You can request a quote for Methyl 3-hydroxy-5-nitrobenzoate 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-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.