1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide
TL;DR: 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide (CAS 86254-99-1) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
Also Known As: NCI60_036713, 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide, 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide, 2-(1-hydroxy-4-oxo-2,5-cyclohexadi-enyl)acetamide, 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; Amide
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 86254-99-1 |
|---|---|
| SMILES | C1=CC(C=CC1=O)(CC(=O)N)O |
| InChIKey | CJJCCPNQRODTES-UHFFFAOYSA-N |
Product Overview
1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide (CAS 86254-99-1), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide.
Chemical Property Profile of 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide
Property Insights of 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide
The XLogP value of -0.8 indicates that 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide. Following Lipinski's Rule of Five, 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide has 2 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 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide?
The CAS number of 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide is 86254-99-1.
What is the molecular formula of 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide?
The molecular formula of 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide is C8H9NO3.
What is the molecular weight of 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide?
The molecular weight of 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide is 167.06 g/mol.
Where can I buy 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide?
You can request a quote for 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.