(3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate
TL;DR: (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate (CAS 112474-03-0) is a chemical compound with molecular formula C24H23ClO3 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate
Also Known As: (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate, Benzeneacetic acid, 3-chloro-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methyl-butanoate
| Molecular Formula | C24H23ClO3 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.13358 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 112474-03-0 |
|---|---|
| SMILES | CC(C)C(C1=CC(=CC=C1)Cl)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | QCTLXYDJUJUAGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate (CAS 112474-03-0), with molecular formula C24H23ClO3 and molecular weight 394.13 g/mol. IUPAC: (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate.
Chemical Property Profile of (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate
Property Insights of (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate
The XLogP value of 6.7 indicates that (3-phenoxyphenyl)methyl 2-(3-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, (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-phenoxyphenyl)methyl 2-(3-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 (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate?
The CAS number of (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate is 112474-03-0.
What is the molecular formula of (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate?
The molecular formula of (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate is C24H23ClO3.
What is the molecular weight of (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate?
The molecular weight of (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate is 394.13 g/mol.
Where can I buy (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate?
You can request a quote for (3-phenoxyphenyl)methyl 2-(3-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 (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-phenoxyphenyl)methyl 2-(3-chlorophenyl)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.