N-(1,1-二甲基-2-丙炔基)苯甲酰胺
TL;DR: N-(1,1-二甲基-2-丙炔基)苯甲酰胺 (CAS 33244-86-9) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-二甲基-2-丙炔基)苯甲酰胺
N-(2-methylbut-3-yn-2-yl)benzamide
Also Known As: N-(1,1-DIMETHYL-2-PROPYNYL)BENZAMIDE, N-(2-methylbut-3-yn-2-yl)benzamide, N-(3-methylbutyn-3-yl)benzamide, N-(1,1-Dimethylpropargyl)benzamide, N-benzoyl-3,3-dimethylpropargylamine
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 33244-86-9 |
|---|---|
| SMILES | CC(C)(C#C)NC(=O)C1=CC=CC=C1 |
| InChIKey | IZBRKPDCFBAIKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,1-二甲基-2-丙炔基)苯甲酰胺 (CAS 33244-86-9), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: N-(2-methylbut-3-yn-2-yl)benzamide.
Chemical Property Profile of N-(1,1-二甲基-2-丙炔基)苯甲酰胺
Property Insights of N-(1,1-二甲基-2-丙炔基)苯甲酰胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-二甲基-2-丙炔基)苯甲酰胺. With a topological polar surface area (TPSA) of 29.1 Ų, N-(1,1-二甲基-2-丙炔基)苯甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-二甲基-2-丙炔基)苯甲酰胺 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 N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
The CAS number of N-(1,1-二甲基-2-丙炔基)苯甲酰胺 is 33244-86-9.
What is the molecular formula of N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
The molecular formula of N-(1,1-二甲基-2-丙炔基)苯甲酰胺 is C12H13NO.
What is the molecular weight of N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
The molecular weight of N-(1,1-二甲基-2-丙炔基)苯甲酰胺 is 187.10 g/mol.
Where can I buy N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
You can request a quote for N-(1,1-二甲基-2-丙炔基)苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-二甲基-2-丙炔基)苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.