N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide
TL;DR: N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide (CAS 74331-99-0) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide
Also Known As: 4-Acetylamino-o-benzochinon, N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide, 4-Acetylimino-2-hydroxy-2,5-cyclohexadien-1-one, N-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-acetamide, Acetamide, N-(3,4-dioxo-1,5-cyclohexadien-1-yl)-
| Molecular Formula | C8H7NO3 |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 |
| Heavy Atoms | 12 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 74331-99-0 |
|---|---|
| SMILES | CC(=O)NC1=CC(=O)C(=O)C=C1 |
| InChIKey | ZURSEPSYQSVJFZ-UHFFFAOYSA-N |
Product Overview
N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide (CAS 74331-99-0), with molecular formula C8H7NO3 and molecular weight 165.04 g/mol. IUPAC: N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide.
Chemical Property Profile of N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide
Property Insights of N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide
The XLogP value of -0.7 indicates that N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide. Following Lipinski's Rule of Five, N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide 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 N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide?
The CAS number of N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide is 74331-99-0.
What is the molecular formula of N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide?
The molecular formula of N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide is C8H7NO3.
What is the molecular weight of N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide?
The molecular weight of N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide is 165.04 g/mol.
Where can I buy N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide?
You can request a quote for N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dioxocyclohexa-1,5-dien-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.