N-(3-苯基丙基)乙酰乙酰胺
TL;DR: N-(3-苯基丙基)乙酰乙酰胺 (CAS 112369-47-8) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-苯基丙基)乙酰乙酰胺
3-oxo-N-(3-phenylpropyl)butanamide
Also Known As: 3-oxo-N-(3-phenylpropyl)butanamide, N-(3-PHENYLPROPYL)ACETOACETAMIDE, 3-Oxo-N-(3-phenyl-propyl)-butyramide, Butanamide, 3-oxo-N-(3-phenylpropyl)-, 3-oxo-N-(3-phenylpropyl) butylamide
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 112369-47-8 |
|---|---|
| SMILES | CC(=O)CC(=O)NCCCC1=CC=CC=C1 |
| InChIKey | XXOBEWUNERKREQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-苯基丙基)乙酰乙酰胺 (CAS 112369-47-8), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 3-oxo-N-(3-phenylpropyl)butanamide.
Chemical Property Profile of N-(3-苯基丙基)乙酰乙酰胺
Property Insights of N-(3-苯基丙基)乙酰乙酰胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-苯基丙基)乙酰乙酰胺. With a topological polar surface area (TPSA) of 46.2 Ų, N-(3-苯基丙基)乙酰乙酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-苯基丙基)乙酰乙酰胺 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 N-(3-苯基丙基)乙酰乙酰胺?
The CAS number of N-(3-苯基丙基)乙酰乙酰胺 is 112369-47-8.
What is the molecular formula of N-(3-苯基丙基)乙酰乙酰胺?
The molecular formula of N-(3-苯基丙基)乙酰乙酰胺 is C13H17NO2.
What is the molecular weight of N-(3-苯基丙基)乙酰乙酰胺?
The molecular weight of N-(3-苯基丙基)乙酰乙酰胺 is 219.13 g/mol.
Where can I buy N-(3-苯基丙基)乙酰乙酰胺?
You can request a quote for N-(3-苯基丙基)乙酰乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-苯基丙基)乙酰乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(3-苯基丙基)乙酰乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.