5-Acetyl-2-amino-4-hydroxybenzonitrile
TL;DR: 5-Acetyl-2-amino-4-hydroxybenzonitrile (CAS 71408-03-2) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-amino-4-hydroxybenzonitrile
Also Known As: 5-acetyl-2-amino-4-hydroxybenzonitrile, ZERO/004584, 5-acetyl-2-amino-4-hydroxy-benzonitrile, 5-acetyl-2-amino-4-hydroxybenzenecarbonitrile, Benzonitrile, 5-acetyl-2-amino-4-hydroxy-
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.04868 |
| Topological Polar Surface Area | 87.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 404.8111 |
Chemical Identifiers
| CAS Number | 71408-03-2 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C(=C1)C#N)N)O |
Product Overview
5-Acetyl-2-amino-4-hydroxybenzonitrile (CAS 71408-03-2), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 5-acetyl-2-amino-4-hydroxybenzonitrile.
Chemical Property Profile of 5-Acetyl-2-amino-4-hydroxybenzonitrile
Property Insights of 5-Acetyl-2-amino-4-hydroxybenzonitrile
The XLogP value of 1.04868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-amino-4-hydroxybenzonitrile. The TPSA of 87.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-amino-4-hydroxybenzonitrile. Following Lipinski's Rule of Five, 5-Acetyl-2-amino-4-hydroxybenzonitrile has 2 hydrogen bond donor(s) and 4 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 5-Acetyl-2-amino-4-hydroxybenzonitrile?
The CAS number of 5-Acetyl-2-amino-4-hydroxybenzonitrile is 71408-03-2.
What is the molecular formula of 5-Acetyl-2-amino-4-hydroxybenzonitrile?
The molecular formula of 5-Acetyl-2-amino-4-hydroxybenzonitrile is C9H8N2O2.
What is the molecular weight of 5-Acetyl-2-amino-4-hydroxybenzonitrile?
The molecular weight of 5-Acetyl-2-amino-4-hydroxybenzonitrile is 176.06 g/mol.
Where can I buy 5-Acetyl-2-amino-4-hydroxybenzonitrile?
You can request a quote for 5-Acetyl-2-amino-4-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-amino-4-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-amino-4-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.