N-(3-ethynylphenyl)-3-methoxybenzamide
TL;DR: N-(3-ethynylphenyl)-3-methoxybenzamide (CAS 330635-76-2) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-ethynylphenyl)-3-methoxybenzamide
Also Known As: N-(3-ethynylphenyl)-3-methoxybenzamide, BIM-0031757.P001
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 330635-76-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#C |
| InChIKey | YBOQHNZXYQPRJI-UHFFFAOYSA-N |
Product Overview
N-(3-ethynylphenyl)-3-methoxybenzamide (CAS 330635-76-2), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: N-(3-ethynylphenyl)-3-methoxybenzamide.
Chemical Property Profile of N-(3-ethynylphenyl)-3-methoxybenzamide
Property Insights of N-(3-ethynylphenyl)-3-methoxybenzamide
The XLogP value of 3.0 indicates that N-(3-ethynylphenyl)-3-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, N-(3-ethynylphenyl)-3-methoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-ethynylphenyl)-3-methoxybenzamide has 1 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-(3-ethynylphenyl)-3-methoxybenzamide?
The CAS number of N-(3-ethynylphenyl)-3-methoxybenzamide is 330635-76-2.
What is the molecular formula of N-(3-ethynylphenyl)-3-methoxybenzamide?
The molecular formula of N-(3-ethynylphenyl)-3-methoxybenzamide is C16H13NO2.
What is the molecular weight of N-(3-ethynylphenyl)-3-methoxybenzamide?
The molecular weight of N-(3-ethynylphenyl)-3-methoxybenzamide is 251.09 g/mol.
Where can I buy N-(3-ethynylphenyl)-3-methoxybenzamide?
You can request a quote for N-(3-ethynylphenyl)-3-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-ethynylphenyl)-3-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-ethynylphenyl)-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.