3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate
TL;DR: 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate (CAS 101492-31-3) is a chemical compound with molecular formula C24H18F2O5 and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 1-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropane-1-carboxylate
Also Known As: 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 1-(1,3-benzodioxol-5-yl)-2,2-difluoro-, (3-phenoxyphenyl)methyl ester, (3-phenoxyphenyl)methyl 1-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropane-1-carboxylate, (3-Phenoxyphenyl)methyl 1-(2H-1,3-benzodioxol-5-yl)-2,2-difluorocyclopropane-1-carboxylate, (3-phenoxyphenyl)methyl 1-benzo[1,3]dioxol-5-yl-2,2-difluoro-cyclopropane-1-carboxylate
| Molecular Formula | C24H18F2O5 |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.11224 |
| Heavy Atoms | 31 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 101492-31-3 |
|---|---|
| SMILES | C1C(C1(F)F)(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC(=CC=C4)OC5=CC=CC=C5 |
| InChIKey | LYDQMQFTYIEPMQ-UHFFFAOYSA-N |
Product Overview
3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate (CAS 101492-31-3), with molecular formula C24H18F2O5 and molecular weight 424.11 g/mol. IUPAC: (3-phenoxyphenyl)methyl 1-(1,3-benzodioxol-5-yl)-2,2-difluorocyclopropane-1-carboxylate.
Chemical Property Profile of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate
Property Insights of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate
The XLogP value of 5.2 indicates that 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate?
The CAS number of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate is 101492-31-3.
What is the molecular formula of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate?
The molecular formula of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate is C24H18F2O5.
What is the molecular weight of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate?
The molecular weight of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate is 424.11 g/mol.
Where can I buy 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate?
You can request a quote for 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.