3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide
TL;DR: 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide (CAS 93025-62-8) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide
Also Known As: 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide, A2946/0124080, N-(1-ethyl-1-methylprop-2-ynyl)-3,4,5-trimethoxybenzamide, Benzamide, N-(1-ethyl-1-methylprop-2-ynyl)-3,4,5-trimethoxy-
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.2441 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 536.8808 |
Chemical Identifiers
| CAS Number | 93025-62-8 |
|---|---|
| SMILES | CCC(C)(C#C)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
Product Overview
3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide (CAS 93025-62-8), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide.
Chemical Property Profile of 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide
Property Insights of 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide
The XLogP value of 2.2441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide. With a topological polar surface area (TPSA) of 56.79 Ų, 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide has 1 hydrogen bond donor(s) and 4 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 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide?
The CAS number of 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide is 93025-62-8.
What is the molecular formula of 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide?
The molecular formula of 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide is C16H21NO4.
What is the molecular weight of 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide?
The molecular weight of 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide is 291.15 g/mol.
Where can I buy 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide?
You can request a quote for 3,4,5-trimethoxy-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 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-trimethoxy-N-(3-methylpent-1-yn-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.