N-(4-ethynylphenyl)-4-methylbenzamide
TL;DR: N-(4-ethynylphenyl)-4-methylbenzamide (CAS 439095-39-3) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethynylphenyl)-4-methylbenzamide
Also Known As: N-(4-ethynylphenyl)-4-methylbenzamide, N-(4-ethynylphenyl)-4-methylbenzenecarboxamide, N-(4-ethynylphenyl)-4-methyl-benzamide, N-(4-ethynyl-phenyl)-4-methyl-benzamide
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.22862 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 588.48926 |
Chemical Identifiers
| CAS Number | 439095-39-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C#C |
Product Overview
N-(4-ethynylphenyl)-4-methylbenzamide (CAS 439095-39-3), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: N-(4-ethynylphenyl)-4-methylbenzamide.
Chemical Property Profile of N-(4-ethynylphenyl)-4-methylbenzamide
Property Insights of N-(4-ethynylphenyl)-4-methylbenzamide
The XLogP value of 3.22862 indicates that N-(4-ethynylphenyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(4-ethynylphenyl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-ethynylphenyl)-4-methylbenzamide 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 N-(4-ethynylphenyl)-4-methylbenzamide?
The CAS number of N-(4-ethynylphenyl)-4-methylbenzamide is 439095-39-3.
What is the molecular formula of N-(4-ethynylphenyl)-4-methylbenzamide?
The molecular formula of N-(4-ethynylphenyl)-4-methylbenzamide is C16H13NO.
What is the molecular weight of N-(4-ethynylphenyl)-4-methylbenzamide?
The molecular weight of N-(4-ethynylphenyl)-4-methylbenzamide is 235.10 g/mol.
Where can I buy N-(4-ethynylphenyl)-4-methylbenzamide?
You can request a quote for N-(4-ethynylphenyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-ethynylphenyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethynylphenyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.