N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide
TL;DR: N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide (CAS 698988-66-8) is a chemical compound with molecular formula C26H26N2O2 and molecular weight 398.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide
Also Known As: N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide, AO-080/43378193, N-(1-adamantyl)-4-[(3-phenyl-2-propynoyl)amino]benzamide, N-1-adamantyl-4-[(3-phenylprop-2-ynoyl)amino]benzamide, A3671/0155662
| Molecular Formula | C26H26N2O2 |
|---|---|
| Molecular Weight | 398.20 g/mol |
| LogP | 4.3754 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.19943 |
| Heavy Atoms | 30 |
| Complexity | 979.2101 |
Chemical Identifiers
| CAS Number | 698988-66-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)NC(=O)C#CC5=CC=CC=C5 |
Product Overview
N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide (CAS 698988-66-8), with molecular formula C26H26N2O2 and molecular weight 398.20 g/mol. IUPAC: N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide.
Chemical Property Profile of N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide
Property Insights of N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide
The XLogP value of 4.3754 indicates that N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)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-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide?
The CAS number of N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide is 698988-66-8.
What is the molecular formula of N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide?
The molecular formula of N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide is C26H26N2O2.
What is the molecular weight of N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide?
The molecular weight of N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide is 398.20 g/mol.
Where can I buy N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide?
You can request a quote for N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.