4-Amino-2,6-dimethylbenzoic acid
TL;DR: 4-Amino-2,6-dimethylbenzoic acid (CAS 16752-16-2) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2,6-dimethylbenzoic acid
Also Known As: 4-amino-2,6-dimethylbenzoic acid, Benzoic acid, 4-amino-2,6-dimethyl-, 4-Amino-2,6-dimethylbenzoicacid, 4-amino-2,6-dimethyl benzoic acid, 4-amino-2,6-dimethyl-benzoic acid
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 16752-16-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O)C)N |
| InChIKey | DVRPKVKKOXSQEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2,6-dimethylbenzoic acid (CAS 16752-16-2), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 4-amino-2,6-dimethylbenzoic acid.
Chemical Property Profile of 4-Amino-2,6-dimethylbenzoic acid
Property Insights of 4-Amino-2,6-dimethylbenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2,6-dimethylbenzoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2,6-dimethylbenzoic acid. Following Lipinski's Rule of Five, 4-Amino-2,6-dimethylbenzoic acid has 2 hydrogen bond donor(s) and 3 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 4-Amino-2,6-dimethylbenzoic acid?
The CAS number of 4-Amino-2,6-dimethylbenzoic acid is 16752-16-2.
What is the molecular formula of 4-Amino-2,6-dimethylbenzoic acid?
The molecular formula of 4-Amino-2,6-dimethylbenzoic acid is C9H11NO2.
What is the molecular weight of 4-Amino-2,6-dimethylbenzoic acid?
The molecular weight of 4-Amino-2,6-dimethylbenzoic acid is 165.08 g/mol.
Where can I buy 4-Amino-2,6-dimethylbenzoic acid?
You can request a quote for 4-Amino-2,6-dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2,6-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2,6-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.