Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-
TL;DR: Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)- (CAS 71548-65-7) is a chemical compound with molecular formula C22H27ClO3 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylhexanoate
Also Known As: Sgd 82-76, (+-)-Ethyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylcaproate, (+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylcaproic acid ethyl ester, ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylhexanoate, HEXANOIC ACID, 2-(4-(4-CHLOROBENZYL)PHENOXY)-2-METHYL-, ETHYL ESTER, (+-)-
| Molecular Formula | C22H27ClO3 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 374.1649 |
| Heavy Atoms | 26 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 71548-65-7 |
|---|---|
| SMILES | CCCCC(C)(C(=O)OCC)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl |
| InChIKey | URKWPFOAXJPSNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)- (CAS 71548-65-7), with molecular formula C22H27ClO3 and molecular weight 374.16 g/mol. IUPAC: ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylhexanoate.
Chemical Property Profile of Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-
Property Insights of Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-
The XLogP value of 6.7 indicates that Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, 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, Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, 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 Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-?
The CAS number of Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)- is 71548-65-7.
What is the molecular formula of Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-?
The molecular formula of Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)- is C22H27ClO3.
What is the molecular weight of Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-?
The molecular weight of Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)- is 374.16 g/mol.
Where can I buy Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-?
You can request a quote for Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, ethyl ester, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.