N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide
TL;DR: N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide (CAS 690990-36-4) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide
Also Known As: N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.946 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 736.8523 |
Chemical Identifiers
| CAS Number | 690990-36-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C#C |
Product Overview
N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide (CAS 690990-36-4), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide
Property Insights of N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide
The XLogP value of 2.946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide. With a topological polar surface area (TPSA) of 56.79 Ų, N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide 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 N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide?
The CAS number of N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide is 690990-36-4.
What is the molecular formula of N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide is C18H17NO4.
What is the molecular weight of N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide is 311.12 g/mol.
Where can I buy N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide 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)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-ethynylphenyl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.