Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
TL;DR: Benzoic acid, 4-hydroxy-3-nitro-, methyl ester (CAS 99-42-3) 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 4-hydroxy-3-nitrobenzoate
Also Known As: Methyl 4-hydroxy-3-nitrobenzoate, Methyl 3-nitro-4-hydroxybenzoate, Not Available, 4-Hydroxy-3-nitrobenzoic acid methyl ester, Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
| 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 | 99-42-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | GNCWCTBHZCBXGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-hydroxy-3-nitro-, methyl ester (CAS 99-42-3), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: methyl 4-hydroxy-3-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
Property Insights of Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-hydroxy-3-nitro-, methyl ester. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-hydroxy-3-nitro-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-hydroxy-3-nitro-, methyl ester 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 Benzoic acid, 4-hydroxy-3-nitro-, methyl ester?
The CAS number of Benzoic acid, 4-hydroxy-3-nitro-, methyl ester is 99-42-3.
What is the molecular formula of Benzoic acid, 4-hydroxy-3-nitro-, methyl ester?
The molecular formula of Benzoic acid, 4-hydroxy-3-nitro-, methyl ester is C8H7NO5.
What is the molecular weight of Benzoic acid, 4-hydroxy-3-nitro-, methyl ester?
The molecular weight of Benzoic acid, 4-hydroxy-3-nitro-, methyl ester is 197.03 g/mol.
Where can I buy Benzoic acid, 4-hydroxy-3-nitro-, methyl ester?
You can request a quote for Benzoic acid, 4-hydroxy-3-nitro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-hydroxy-3-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-hydroxy-3-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.