2-(1-Methylethoxy)-5-nitrobenzoic acid
TL;DR: 2-(1-Methylethoxy)-5-nitrobenzoic acid (CAS 166263-28-1) 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.
5-nitro-2-propan-2-yloxybenzoic acid
Also Known As: 2-isopropoxy-5-nitrobenzoic acid, 2-Isopropoxy-5-nitro-benzoic acid, 2-(1-Methylethoxy)-5-nitrobenzoic acid, 5-nitro-2-propan-2-yloxybenzoic acid, 5-nitro-2-(propan-2-yloxy)benzoic acid
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.0802 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 427.21762 |
Chemical Identifiers
| CAS Number | 166263-28-1 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
Product Overview
2-(1-Methylethoxy)-5-nitrobenzoic acid (CAS 166263-28-1), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: 5-nitro-2-propan-2-yloxybenzoic acid.
Chemical Property Profile of 2-(1-Methylethoxy)-5-nitrobenzoic acid
Property Insights of 2-(1-Methylethoxy)-5-nitrobenzoic acid
The XLogP value of 2.0802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methylethoxy)-5-nitrobenzoic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methylethoxy)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(1-Methylethoxy)-5-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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 2-(1-Methylethoxy)-5-nitrobenzoic acid?
The CAS number of 2-(1-Methylethoxy)-5-nitrobenzoic acid is 166263-28-1.
What is the molecular formula of 2-(1-Methylethoxy)-5-nitrobenzoic acid?
The molecular formula of 2-(1-Methylethoxy)-5-nitrobenzoic acid is C10H11NO5.
What is the molecular weight of 2-(1-Methylethoxy)-5-nitrobenzoic acid?
The molecular weight of 2-(1-Methylethoxy)-5-nitrobenzoic acid is 225.06 g/mol.
Where can I buy 2-(1-Methylethoxy)-5-nitrobenzoic acid?
You can request a quote for 2-(1-Methylethoxy)-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylethoxy)-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylethoxy)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.