2-Amino-4,5-dihydroxybenzoic acid
TL;DR: 2-Amino-4,5-dihydroxybenzoic acid (CAS 114874-99-6) is a chemical compound with molecular formula C7H7NO4 and molecular weight 169.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4,5-dihydroxybenzoic acid
Also Known As: 2-Amino-4,5-dihydroxybenzoic acid, Benzoic acid, 2-amino-4,5-dihydroxy-, 2-amino-4,5-dihydroxy-benzoic Acid, 2-Amino-4,5-dihydroxybenzoicacid, Benzoic acid,2-amino-4,5-dihydroxy
Technical Specifications
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.0375 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0375 Da |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
| SMILES | C1=C(C(=CC(=C1O)O)N)C(=O)O |
| InChIKey | XBLOQICXEUCEPK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4,5-dihydroxybenzoic acid
Property Insights of 2-Amino-4,5-dihydroxybenzoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4,5-dihydroxybenzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,5-dihydroxybenzoic acid. Following Lipinski's Rule of Five, 2-Amino-4,5-dihydroxybenzoic acid has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Amino-4,5-dihydroxybenzoic acid?
The CAS number of 2-Amino-4,5-dihydroxybenzoic acid is 114874-99-6.
What is the molecular formula of 2-Amino-4,5-dihydroxybenzoic acid?
The molecular formula of 2-Amino-4,5-dihydroxybenzoic acid is C7H7NO4.
What is the molecular weight of 2-Amino-4,5-dihydroxybenzoic acid?
The molecular weight of 2-Amino-4,5-dihydroxybenzoic acid is 169.0375 g/mol.
Where can I buy 2-Amino-4,5-dihydroxybenzoic acid?
You can request a quote for 2-Amino-4,5-dihydroxybenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4,5-dihydroxybenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4,5-dihydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.