N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
TL;DR: N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide (CAS 3868-95-9) is a chemical compound with molecular formula C16H16ClNO4 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
Also Known As: Aurora 6910, N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide, N-(3,4,5-Trimethoxy-benzoyl)-4-chlor-anilin, AO-548/40086229, N-(4-chlorophenyl)(3,4,5-trimethoxyphenyl)carboxamide
| Molecular Formula | C16H16ClNO4 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.07678 |
| Heavy Atoms | 22 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 3868-95-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | ODRCEQRCKPMANV-UHFFFAOYSA-N |
Product Overview
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide (CAS 3868-95-9), with molecular formula C16H16ClNO4 and molecular weight 321.08 g/mol. IUPAC: N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
Property Insights of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
The XLogP value of 3.3 indicates that N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-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-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
The CAS number of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide is 3868-95-9.
What is the molecular formula of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide is C16H16ClNO4.
What is the molecular weight of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide is 321.08 g/mol.
Where can I buy N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(4-chlorophenyl)-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-(4-chlorophenyl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.