Diacetylaminocyclohexenone
TL;DR: Diacetylaminocyclohexenone (CAS 17578-85-7) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-acetyl-N-(6-oxocyclohexen-1-yl)acetamide
Also Known As: Diacetylaminocyclohexenone, 2-diacetylaminocyclohex-2-enone, N-acetyl-N-(6-oxocyclohexen-1-yl)acetamide, N-Acetyl-N-(6-oxocyclohex-1-en-1-yl)acetamide, Acetamide, N-acetyl-N-(6-oxo-1-cyclohexen-1-yl)-
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 17578-85-7 |
|---|---|
| SMILES | CC(=O)N(C1=CCCCC1=O)C(=O)C |
| InChIKey | QJOPUMMKRVYSIQ-UHFFFAOYSA-N |
Product Overview
Diacetylaminocyclohexenone (CAS 17578-85-7), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: N-acetyl-N-(6-oxocyclohexen-1-yl)acetamide.
Chemical Property Profile of Diacetylaminocyclohexenone
Property Insights of Diacetylaminocyclohexenone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacetylaminocyclohexenone. With a topological polar surface area (TPSA) of 54.5 Ų, Diacetylaminocyclohexenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diacetylaminocyclohexenone has 0 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 Diacetylaminocyclohexenone?
The CAS number of Diacetylaminocyclohexenone is 17578-85-7.
What is the molecular formula of Diacetylaminocyclohexenone?
The molecular formula of Diacetylaminocyclohexenone is C10H13NO3.
What is the molecular weight of Diacetylaminocyclohexenone?
The molecular weight of Diacetylaminocyclohexenone is 195.09 g/mol.
Where can I buy Diacetylaminocyclohexenone?
You can request a quote for Diacetylaminocyclohexenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetylaminocyclohexenone?
Yes, KEHONG BIO provides custom synthesis services for Diacetylaminocyclohexenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.