Methyl hydrogen 2-nitroterephthalate
TL;DR: Methyl hydrogen 2-nitroterephthalate (CAS 35092-89-8) is a chemical compound with molecular formula C9H7NO6 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxycarbonyl-3-nitrobenzoic acid
Also Known As: 4-(methoxycarbonyl)-3-nitrobenzoic acid, 1-Methyl 2-nitroterephthalate, 4-methoxycarbonyl-3-nitrobenzoic acid, Methyl hydrogen 2-nitroterephthalate, 4-methoxycarbonyl-3-nitro-benzoic acid
| Molecular Formula | C9H7NO6 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.02734 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 35092-89-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | MIIADZYPHVTLPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl hydrogen 2-nitroterephthalate (CAS 35092-89-8), with molecular formula C9H7NO6 and molecular weight 225.03 g/mol. IUPAC: 4-methoxycarbonyl-3-nitrobenzoic acid.
Chemical Property Profile of Methyl hydrogen 2-nitroterephthalate
Property Insights of Methyl hydrogen 2-nitroterephthalate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl hydrogen 2-nitroterephthalate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl hydrogen 2-nitroterephthalate. Following Lipinski's Rule of Five, Methyl hydrogen 2-nitroterephthalate has 1 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 Methyl hydrogen 2-nitroterephthalate?
The CAS number of Methyl hydrogen 2-nitroterephthalate is 35092-89-8.
What is the molecular formula of Methyl hydrogen 2-nitroterephthalate?
The molecular formula of Methyl hydrogen 2-nitroterephthalate is C9H7NO6.
What is the molecular weight of Methyl hydrogen 2-nitroterephthalate?
The molecular weight of Methyl hydrogen 2-nitroterephthalate is 225.03 g/mol.
Where can I buy Methyl hydrogen 2-nitroterephthalate?
You can request a quote for Methyl hydrogen 2-nitroterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl hydrogen 2-nitroterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Methyl hydrogen 2-nitroterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.