4-Acetylamino-6-diazo-2,4-cyclohexadienone
TL;DR: 4-Acetylamino-6-diazo-2,4-cyclohexadienone (CAS 98555-06-7) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-2-diazoniophenolate
Also Known As: 4-Acetylamino-6-diazo-2,4-cyclohexadienone, 4-acetamido-2-diazoniophenolate, N-(3-Diazo-4-oxo-1,5-cyclohexadien-1-yl)acetamide, Acetamide, N-(3-diazo-4-oxo-1,5-cyclohexadien-1-yl)-, N-(3-diazo-4-oxocyclohexa-1,5-dien-1-yl)acetamide
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 98555-06-7 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)[O-])[N+]#N |
| InChIKey | YAHSRQTYBZAIFM-UHFFFAOYSA-N |
Product Overview
4-Acetylamino-6-diazo-2,4-cyclohexadienone (CAS 98555-06-7), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 4-acetamido-2-diazoniophenolate.
Chemical Property Profile of 4-Acetylamino-6-diazo-2,4-cyclohexadienone
Property Insights of 4-Acetylamino-6-diazo-2,4-cyclohexadienone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylamino-6-diazo-2,4-cyclohexadienone. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylamino-6-diazo-2,4-cyclohexadienone. Following Lipinski's Rule of Five, 4-Acetylamino-6-diazo-2,4-cyclohexadienone 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-Acetylamino-6-diazo-2,4-cyclohexadienone?
The CAS number of 4-Acetylamino-6-diazo-2,4-cyclohexadienone is 98555-06-7.
What is the molecular formula of 4-Acetylamino-6-diazo-2,4-cyclohexadienone?
The molecular formula of 4-Acetylamino-6-diazo-2,4-cyclohexadienone is C8H7N3O2.
What is the molecular weight of 4-Acetylamino-6-diazo-2,4-cyclohexadienone?
The molecular weight of 4-Acetylamino-6-diazo-2,4-cyclohexadienone is 177.05 g/mol.
Where can I buy 4-Acetylamino-6-diazo-2,4-cyclohexadienone?
You can request a quote for 4-Acetylamino-6-diazo-2,4-cyclohexadienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylamino-6-diazo-2,4-cyclohexadienone?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylamino-6-diazo-2,4-cyclohexadienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.