3-Isopropoxy-4-nitrobenzoic acid
TL;DR: 3-Isopropoxy-4-nitrobenzoic acid (CAS 379261-85-5) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-3-propan-2-yloxybenzoic acid
Also Known As: 3-Isopropoxy-4-nitrobenzoic acid, 4-nitro-3-propan-2-yloxybenzoic acid, 3-isopropoxy-4-nitro-benzoic acid, 3-Isopropoxy-4-nitrobenzoicacid, 4-nitro-3-isopropoxybenzoic acid
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 379261-85-5 |
|---|---|
| SMILES | CC(C)OC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | USHZRNJOYADWDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isopropoxy-4-nitrobenzoic acid (CAS 379261-85-5), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: 4-nitro-3-propan-2-yloxybenzoic acid.
Chemical Property Profile of 3-Isopropoxy-4-nitrobenzoic acid
Property Insights of 3-Isopropoxy-4-nitrobenzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropoxy-4-nitrobenzoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isopropoxy-4-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Isopropoxy-4-nitrobenzoic acid 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 3-Isopropoxy-4-nitrobenzoic acid?
The CAS number of 3-Isopropoxy-4-nitrobenzoic acid is 379261-85-5.
What is the molecular formula of 3-Isopropoxy-4-nitrobenzoic acid?
The molecular formula of 3-Isopropoxy-4-nitrobenzoic acid is C10H11NO5.
What is the molecular weight of 3-Isopropoxy-4-nitrobenzoic acid?
The molecular weight of 3-Isopropoxy-4-nitrobenzoic acid is 225.06 g/mol.
Where can I buy 3-Isopropoxy-4-nitrobenzoic acid?
You can request a quote for 3-Isopropoxy-4-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropoxy-4-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropoxy-4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.