amino}methyl)-4,6-dimethylphenyl acetate structure](/static/products/6639/6639-03-8.webp)
2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate
TL;DR: 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate (CAS 6639-03-8) is a chemical compound with molecular formula C21H23Cl2NO4 and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[(2-acetyloxy-3,5-dichlorophenyl)methyl-methylamino]methyl]-4,6-dimethylphenyl] acetate
Also Known As: 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate, [2-[[(2-acetyloxy-3,5-dichlorophenyl)methyl-methylamino]methyl]-4,6-dimethylphenyl] acetate, Phenol,2-[[[[2-(acetyloxy)-3,5-dichlorophenyl]methyl]methylamino]methyl]-4,6-dimethyl-,acetate (ester), hydrochloride (9CI)
| Molecular Formula | C21H23Cl2NO4 |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.1004 |
| Heavy Atoms | 28 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 6639-03-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)CN(C)CC2=C(C(=CC(=C2)Cl)Cl)OC(=O)C)OC(=O)C)C |
| InChIKey | YNWBLNJCCJYDRA-UHFFFAOYSA-N |
Product Overview
2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate (CAS 6639-03-8), with molecular formula C21H23Cl2NO4 and molecular weight 423.10 g/mol. IUPAC: [2-[[(2-acetyloxy-3,5-dichlorophenyl)methyl-methylamino]methyl]-4,6-dimethylphenyl] acetate.
Chemical Property Profile of 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate
Property Insights of 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate
The XLogP value of 4.7 indicates that 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate has 0 hydrogen bond donor(s) and 5 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 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate?
The CAS number of 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate is 6639-03-8.
What is the molecular formula of 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate?
The molecular formula of 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate is C21H23Cl2NO4.
What is the molecular weight of 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate?
The molecular weight of 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate is 423.10 g/mol.
Where can I buy 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate?
You can request a quote for 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-({[2-(acetyloxy)-3,5-dichlorobenzyl](methyl)amino}methyl)-4,6-dimethylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.