4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
TL;DR: 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide (CAS 664367-62-8) is a chemical compound with molecular formula C13H14FNO and molecular weight 219.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
Also Known As: 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide, Benzamide, N-(1-ethyl-1-methylprop-2-ynyl)-4-fluoro-, A2980/0125618, N-(1-ethyl-1-methylprop-2-ynyl)(4-fluorophenyl)carboxamide
| Molecular Formula | C13H14FNO |
|---|---|
| Molecular Weight | 219.11 g/mol |
| LogP | 2.3574 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.10594 |
| Heavy Atoms | 16 |
| Complexity | 418.5539 |
Chemical Identifiers
| CAS Number | 664367-62-8 |
|---|---|
| SMILES | CCC(C)(C#C)NC(=O)C1=CC=C(C=C1)F |
Product Overview
4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide (CAS 664367-62-8), with molecular formula C13H14FNO and molecular weight 219.11 g/mol. IUPAC: 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide.
Chemical Property Profile of 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
Property Insights of 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
The XLogP value of 2.3574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide. With a topological polar surface area (TPSA) of 29.1 Ų, 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide 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-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide?
The CAS number of 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide is 664367-62-8.
What is the molecular formula of 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide?
The molecular formula of 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide is C13H14FNO.
What is the molecular weight of 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide?
The molecular weight of 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide is 219.11 g/mol.
Where can I buy 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide?
You can request a quote for 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.