N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide
TL;DR: N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide (CAS 309726-89-4) is a chemical compound with molecular formula C19H27NO2 and molecular weight 301.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-heptyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
Also Known As: N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide, A2225/0093717, N-heptyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide, N-heptyl[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]carboxamide
| Molecular Formula | C19H27NO2 |
|---|---|
| Molecular Weight | 301.20 g/mol |
| LogP | 3.5092 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.2042 |
| Heavy Atoms | 22 |
| Complexity | 515.0967 |
Chemical Identifiers
| CAS Number | 309726-89-4 |
|---|---|
| SMILES | CCCCCCCNC(=O)C1=CC=C(C=C1)C#CC(C)(C)O |
Product Overview
N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide (CAS 309726-89-4), with molecular formula C19H27NO2 and molecular weight 301.20 g/mol. IUPAC: N-heptyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide.
Chemical Property Profile of N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide
Property Insights of N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide
The XLogP value of 3.5092 indicates that N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide has 2 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 N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide?
The CAS number of N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide is 309726-89-4.
What is the molecular formula of N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide?
The molecular formula of N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide is C19H27NO2.
What is the molecular weight of N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide?
The molecular weight of N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide is 301.20 g/mol.
Where can I buy N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide?
You can request a quote for N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-heptyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.