Acetanilide, 2-tert-butyl-
TL;DR: Acetanilide, 2-tert-butyl- (CAS 94413-53-3) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-N-phenylbutanamide
Also Known As: t-butyl-acetanilide, Acetanilide, 2-tert-butyl-, 3,3-dimethyl-N-phenylbutanamide, N-Phenyl-3,3-dimethylbutanamide, 3,3-Dimethyl-n-phenyl-butanamide
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 94413-53-3 |
|---|---|
| SMILES | CC(C)(C)CC(=O)NC1=CC=CC=C1 |
| InChIKey | HZCWUGRBJGUUFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetanilide, 2-tert-butyl- (CAS 94413-53-3), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 3,3-dimethyl-N-phenylbutanamide.
Chemical Property Profile of Acetanilide, 2-tert-butyl-
Property Insights of Acetanilide, 2-tert-butyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2-tert-butyl-. With a topological polar surface area (TPSA) of 29.1 Ų, Acetanilide, 2-tert-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 2-tert-butyl- has 1 hydrogen bond donor(s) and 1 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 Acetanilide, 2-tert-butyl-?
The CAS number of Acetanilide, 2-tert-butyl- is 94413-53-3.
What is the molecular formula of Acetanilide, 2-tert-butyl-?
The molecular formula of Acetanilide, 2-tert-butyl- is C12H17NO.
What is the molecular weight of Acetanilide, 2-tert-butyl-?
The molecular weight of Acetanilide, 2-tert-butyl- is 191.13 g/mol.
Where can I buy Acetanilide, 2-tert-butyl-?
You can request a quote for Acetanilide, 2-tert-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-tert-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-tert-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.