4-Amino-phenol 1-benzoate
TL;DR: 4-Amino-phenol 1-benzoate (CAS 720-98-9) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminophenyl) benzoate
Also Known As: 4-Amino-phenol 1-benzoate, (4-aminophenyl) Benzoate, 4-aminophenyl benzoate, 4-Amino-phenol1-benzoate, Benzoic acid 4-aminophenyl ester
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 720-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N |
| InChIKey | OFZBREYRUUQJQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-phenol 1-benzoate (CAS 720-98-9), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: (4-aminophenyl) benzoate.
Chemical Property Profile of 4-Amino-phenol 1-benzoate
Property Insights of 4-Amino-phenol 1-benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-phenol 1-benzoate. With a topological polar surface area (TPSA) of 52.3 Ų, 4-Amino-phenol 1-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-phenol 1-benzoate has 1 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-phenol 1-benzoate?
The CAS number of 4-Amino-phenol 1-benzoate is 720-98-9.
What is the molecular formula of 4-Amino-phenol 1-benzoate?
The molecular formula of 4-Amino-phenol 1-benzoate is C13H11NO2.
What is the molecular weight of 4-Amino-phenol 1-benzoate?
The molecular weight of 4-Amino-phenol 1-benzoate is 213.08 g/mol.
Where can I buy 4-Amino-phenol 1-benzoate?
You can request a quote for 4-Amino-phenol 1-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-phenol 1-benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-phenol 1-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.