4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid
TL;DR: 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid (CAS 164466-85-7) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-3-[(2-hydroxyacetyl)amino]benzoic acid
Also Known As: 1ing, 4-(Acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid, 4-acetamido-3-(2-hydroxyacetamido)benzoic acid, 4-acetamido-3-[(2-hydroxyacetyl)amino]benzoic acid, 3-(Hydroxyacetylamino)-4-(acetylamino)benzoic acid
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 164466-85-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)O)NC(=O)CO |
| InChIKey | CRHJDPGLFDNPOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid (CAS 164466-85-7), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 4-acetamido-3-[(2-hydroxyacetyl)amino]benzoic acid.
Chemical Property Profile of 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid
Property Insights of 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid
The XLogP value of -0.9 indicates that 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid. Following Lipinski's Rule of Five, 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic 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
Frequently Asked Questions
What is the CAS number of 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid?
The CAS number of 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid is 164466-85-7.
What is the molecular formula of 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid?
The molecular formula of 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid is C11H12N2O5.
What is the molecular weight of 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid?
The molecular weight of 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid is 252.07 g/mol.
Where can I buy 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid?
You can request a quote for 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)-3-((Hydroxyacetyl)Amino)Benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.