1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate
TL;DR: 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate (CAS 57731-67-6) is a chemical compound with molecular formula C26H23ClO3 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methylbutanoate
Also Known As: 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, ethynyl(3-phenoxyphenyl)methyl ester, 1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methylbutanoate, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, 1-(3-phenoxyphenyl)-2-propynyl ester, 2-(4-Chlorophenyl)-3-methylbutanoic acid alpha-ethynyl-3-phenoxybenzyl ester
| Molecular Formula | C26H23ClO3 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.13358 |
| Heavy Atoms | 30 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 57731-67-6 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#C)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | XETLICAXPDNIOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate (CAS 57731-67-6), with molecular formula C26H23ClO3 and molecular weight 418.13 g/mol. IUPAC: 1-(3-phenoxyphenyl)prop-2-ynyl 2-(4-chlorophenyl)-3-methylbutanoate.
Chemical Property Profile of 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate
Property Insights of 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate
The XLogP value of 6.5 indicates that 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate 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 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate?
The CAS number of 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate is 57731-67-6.
What is the molecular formula of 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate?
The molecular formula of 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate is C26H23ClO3.
What is the molecular weight of 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate?
The molecular weight of 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate is 418.13 g/mol.
Where can I buy 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate?
You can request a quote for 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Phenoxyphenyl)prop-2-yn-1-yl 2-(4-chlorophenyl)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.