5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile
TL;DR: 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile (CAS 73369-26-3) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile
Also Known As: 5-acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile, 5-acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 73369-26-3 |
|---|---|
| SMILES | CC1=C(C(=C(CC1(C)O)C(=O)C)N)C#N |
| InChIKey | COZWETGXWPCGGW-UHFFFAOYSA-N |
Product Overview
5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile (CAS 73369-26-3), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: 5-acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile.
Chemical Property Profile of 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile
Property Insights of 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile
The XLogP value of -0.4 indicates that 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile. Following Lipinski's Rule of Five, 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile 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-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile?
The CAS number of 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile is 73369-26-3.
What is the molecular formula of 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile?
The molecular formula of 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile is C11H14N2O2.
What is the molecular weight of 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile?
The molecular weight of 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile is 206.11 g/mol.
Where can I buy 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile?
You can request a quote for 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-6-amino-3-hydroxy-2,3-dimethylcyclohexa-1,5-diene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.