m-Phenoxybenzyl 3-methyl-2-phenylbutyrate
TL;DR: m-Phenoxybenzyl 3-methyl-2-phenylbutyrate (CAS 76769-29-4) is a chemical compound with molecular formula C24H24O3 and molecular weight 360.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 3-methyl-2-phenylbutanoate
Also Known As: Ioglunide, m-Phenoxybenzyl 3-methyl-2-phenylbutyrate, (3-phenoxyphenyl)methyl 3-methyl-2-phenylbutanoate, 3-(Phenoxyphenyl)methyl alpha-(1-methylethyl)benzeneacetate, Benzeneacetic acid, alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester
| Molecular Formula | C24H24O3 |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.17255 |
| Heavy Atoms | 27 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 76769-29-4 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChIKey | RMCDVZLYPKSSPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Phenoxybenzyl 3-methyl-2-phenylbutyrate (CAS 76769-29-4), with molecular formula C24H24O3 and molecular weight 360.17 g/mol. IUPAC: (3-phenoxyphenyl)methyl 3-methyl-2-phenylbutanoate.
Chemical Property Profile of m-Phenoxybenzyl 3-methyl-2-phenylbutyrate
Property Insights of m-Phenoxybenzyl 3-methyl-2-phenylbutyrate
The XLogP value of 6.1 indicates that m-Phenoxybenzyl 3-methyl-2-phenylbutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, m-Phenoxybenzyl 3-methyl-2-phenylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Phenoxybenzyl 3-methyl-2-phenylbutyrate 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 m-Phenoxybenzyl 3-methyl-2-phenylbutyrate?
The CAS number of m-Phenoxybenzyl 3-methyl-2-phenylbutyrate is 76769-29-4.
What is the molecular formula of m-Phenoxybenzyl 3-methyl-2-phenylbutyrate?
The molecular formula of m-Phenoxybenzyl 3-methyl-2-phenylbutyrate is C24H24O3.
What is the molecular weight of m-Phenoxybenzyl 3-methyl-2-phenylbutyrate?
The molecular weight of m-Phenoxybenzyl 3-methyl-2-phenylbutyrate is 360.17 g/mol.
Where can I buy m-Phenoxybenzyl 3-methyl-2-phenylbutyrate?
You can request a quote for m-Phenoxybenzyl 3-methyl-2-phenylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Phenoxybenzyl 3-methyl-2-phenylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for m-Phenoxybenzyl 3-methyl-2-phenylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.