4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid
TL;DR: 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid (CAS 15540-79-1) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-hydroxybenzene-1,3-dicarboxylic acid
Also Known As: 4-amino-6-hydroxybenzene-1,3-dicarboxylic acid, Aspirin Impurity 3, 4-Amino-6-hydroxyisophthalic acid, Acetylsalicylic Acid Impurity 3, Acetylsalicylic Acid Impurity 8
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 15540-79-1 |
|---|---|
| SMILES | C1=C(C(=CC(=C1C(=O)O)O)N)C(=O)O |
| InChIKey | BLBBHFYLFBKYNA-UHFFFAOYSA-N |
Product Overview
4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid (CAS 15540-79-1), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 4-amino-6-hydroxybenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid
Property Insights of 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid has 4 hydrogen bond donor(s) and 6 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-6-hydroxybenzene-1,3-dicarboxylic acid?
The CAS number of 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid is 15540-79-1.
What is the molecular formula of 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid?
The molecular formula of 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid is C8H7NO5.
What is the molecular weight of 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid?
The molecular weight of 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid is 197.03 g/mol.
Where can I buy 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid?
You can request a quote for 4-Amino-6-hydroxybenzene-1,3-dicarboxylic 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-6-hydroxybenzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-hydroxybenzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.