3,5-Dimethyl-4-nitrobenzoic acid
TL;DR: 3,5-Dimethyl-4-nitrobenzoic acid (CAS 35779-39-6) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-nitrobenzoic acid
Also Known As: 3,5-Dimethyl-4-nitrobenzoic acid, Benzoic acid, 3,5-dimethyl-4-nitro-, 4-nitromesitylenic acid, 4-Nitro-3,5-dimethylbenzoic acid, NCIOpen2_000224
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 35779-39-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)O |
| InChIKey | RBAVFNOGEPCOQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-4-nitrobenzoic acid (CAS 35779-39-6), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 3,5-dimethyl-4-nitrobenzoic acid.
Chemical Property Profile of 3,5-Dimethyl-4-nitrobenzoic acid
Property Insights of 3,5-Dimethyl-4-nitrobenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-nitrobenzoic acid. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-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 3,5-Dimethyl-4-nitrobenzoic acid?
The CAS number of 3,5-Dimethyl-4-nitrobenzoic acid is 35779-39-6.
What is the molecular formula of 3,5-Dimethyl-4-nitrobenzoic acid?
The molecular formula of 3,5-Dimethyl-4-nitrobenzoic acid is C9H9NO4.
What is the molecular weight of 3,5-Dimethyl-4-nitrobenzoic acid?
The molecular weight of 3,5-Dimethyl-4-nitrobenzoic acid is 195.05 g/mol.
Where can I buy 3,5-Dimethyl-4-nitrobenzoic acid?
You can request a quote for 3,5-Dimethyl-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 3,5-Dimethyl-4-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.