乙酰乙酰苯胺
TL;DR: 乙酰乙酰苯胺 (CAS 102-01-2) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰乙酰苯胺
3-oxo-N-phenylbutanamide
Also Known As: ACETOACETANILIDE, 3-Oxo-N-phenylbutanamide, Acetylacetanilide, Acetoacetic anilide, Acetoacetanilid
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
| Melting Point | 86.1 °C |
| Boiling Point | Decomposes |
| Density | 1.26 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 162.8 °C |
| Vapor Pressure | 0.01 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 102-01-2 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=CC=C1 |
| InChIKey | DYRDKSSFIWVSNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰乙酰苯胺 (CAS 102-01-2), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 3-oxo-N-phenylbutanamide.
Chemical Property Profile of 乙酰乙酰苯胺
Property Insights of 乙酰乙酰苯胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰乙酰苯胺. With a topological polar surface area (TPSA) of 46.2 Ų, 乙酰乙酰苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰乙酰苯胺 has 1 hydrogen bond donor(s) and 2 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 乙酰乙酰苯胺?
The CAS number of 乙酰乙酰苯胺 is 102-01-2.
What is the molecular formula of 乙酰乙酰苯胺?
The molecular formula of 乙酰乙酰苯胺 is C10H11NO2.
What is the molecular weight of 乙酰乙酰苯胺?
The molecular weight of 乙酰乙酰苯胺 is 177.08 g/mol.
Where can I buy 乙酰乙酰苯胺?
You can request a quote for 乙酰乙酰苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰乙酰苯胺?
Yes, KEHONG BIO provides custom synthesis services for 乙酰乙酰苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.