Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester
TL;DR: Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester (CAS 71548-25-9) is a chemical compound with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(4-chlorophenyl)methyl]-2-methylphenoxy]acetate
Also Known As: Sgd 331-75, Ethyl 2-(4-(4-chlorobenzyl)-2-methylphenoxy)acetate, ACETIC ACID, 2-(4-(4-CHLOROBENZYL)-2-METHYLPHENOXY)-, ETHYL ESTER, 2-(4-(4-Chlorobenzyl)-2-methylphenoxy)acetic acid ethyl ester, ethyl 2-[4-[(4-chlorophenyl)methyl]-2-methylphenoxy]acetate
| Molecular Formula | C18H19ClO3 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.10226 |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 71548-25-9 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)CC2=CC=C(C=C2)Cl)C |
| InChIKey | FKVBTBWXORSLPQ-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester (CAS 71548-25-9), with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol. IUPAC: ethyl 2-[4-[(4-chlorophenyl)methyl]-2-methylphenoxy]acetate.
Chemical Property Profile of Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester
Property Insights of Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester
The XLogP value of 5.1 indicates that Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester?
The CAS number of Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester is 71548-25-9.
What is the molecular formula of Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester?
The molecular formula of Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester is C18H19ClO3.
What is the molecular weight of Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester?
The molecular weight of Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester is 318.10 g/mol.
Where can I buy Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester?
You can request a quote for Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(4-(4-chlorobenzyl)-2-methylphenoxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.