4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺
TL;DR: 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺 (CAS 24911-15-7) is a chemical compound with molecular formula C12H12ClNO and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺
4-chloro-N-(2-methylbut-3-yn-2-yl)benzamide
Also Known As: 4-chloro-N-(2-methylbut-3-yn-2-yl)benzamide, 4-CHLORO-N-(1,1-DIMETHYL-2-PROPYNYL)BENZAMIDE, N-(3-methylbutyn-3-yl)-4-chlorobenzamide, J1.611.750A, N-(1,1-Dimethyl-2-propynyl)-4-chlorobenzamide
| Molecular Formula | C12H12ClNO |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.06075 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 24911-15-7 |
|---|---|
| SMILES | CC(C)(C#C)NC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | JSBUIJZRVJLNAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺 (CAS 24911-15-7), with molecular formula C12H12ClNO and molecular weight 221.06 g/mol. IUPAC: 4-chloro-N-(2-methylbut-3-yn-2-yl)benzamide.
Chemical Property Profile of 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺
Property Insights of 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-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, 4-氯-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, 4-氯-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 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
The CAS number of 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺 is 24911-15-7.
What is the molecular formula of 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
The molecular formula of 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺 is C12H12ClNO.
What is the molecular weight of 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
The molecular weight of 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺 is 221.06 g/mol.
Where can I buy 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
You can request a quote for 4-氯-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 4-氯-N-(1,1-二甲基-2-丙炔基)苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-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.