Acetoacetobenzylamide
TL;DR: Acetoacetobenzylamide (CAS 882-36-0) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-oxobutanamide
Also Known As: N-Benzylacetoacetamide, n-benzyl-3-oxobutanamide, Acetoacetbenzylamide, Acetoacetobenzylamide, N-Acetoacetylbenzylamine
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 882-36-0 |
|---|---|
| SMILES | CC(=O)CC(=O)NCC1=CC=CC=C1 |
| InChIKey | KOHNUEXAOQRRPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetoacetobenzylamide (CAS 882-36-0), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: N-benzyl-3-oxobutanamide.
Chemical Property Profile of Acetoacetobenzylamide
Property Insights of Acetoacetobenzylamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetoacetobenzylamide. With a topological polar surface area (TPSA) of 46.2 Ų, Acetoacetobenzylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoacetobenzylamide 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 Acetoacetobenzylamide?
The CAS number of Acetoacetobenzylamide is 882-36-0.
What is the molecular formula of Acetoacetobenzylamide?
The molecular formula of Acetoacetobenzylamide is C11H13NO2.
What is the molecular weight of Acetoacetobenzylamide?
The molecular weight of Acetoacetobenzylamide is 191.09 g/mol.
Where can I buy Acetoacetobenzylamide?
You can request a quote for Acetoacetobenzylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoacetobenzylamide?
Yes, KEHONG BIO provides custom synthesis services for Acetoacetobenzylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.