Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-
TL;DR: Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)- (CAS 71548-91-9) is a chemical compound with molecular formula C19H21ClO3 and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
Also Known As: Sgd 91-75, (+-)-Methyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutyrate, (+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid methyl ester, Methyl 2-(4-(4-chlorobenzyl)phenoxy)-2-methylbutanoate, methyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
| Molecular Formula | C19H21ClO3 |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.11792 |
| Heavy Atoms | 23 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 71548-91-9 |
|---|---|
| SMILES | CCC(C)(C(=O)OC)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl |
| InChIKey | PVKLQBZRXYIJTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)- (CAS 71548-91-9), with molecular formula C19H21ClO3 and molecular weight 332.12 g/mol. IUPAC: methyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate.
Chemical Property Profile of Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-
Property Insights of Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-
The XLogP value of 5.5 indicates that Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl 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, Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl 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 Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-?
The CAS number of Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)- is 71548-91-9.
What is the molecular formula of Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-?
The molecular formula of Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)- is C19H21ClO3.
What is the molecular weight of Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-?
The molecular weight of Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)- is 332.12 g/mol.
Where can I buy Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-?
You can request a quote for Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, methyl ester, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.