3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate
TL;DR: 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate (CAS 101492-30-2) is a chemical compound with molecular formula C25H22BrClO4 and molecular weight 500.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(3-phenoxyphenyl)methyl (1R,2R)-2-bromo-2-chloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
Also Known As: 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, (3-phenoxyphenyl)methyl ester, trans-, (3-phenoxyphenyl)methyl (1R,2R)-2-bromo-2-chloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate, (3-phenoxyphenyl)methyl (1S,2R)-2-bromo-2-chloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
| Molecular Formula | C25H22BrClO4 |
|---|---|
| Molecular Weight | 500.04 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 500.039 |
| Heavy Atoms | 31 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 101492-30-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)[C@]2(C[C@@]2(Cl)Br)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | VTNPIKYOVVMHNC-RPBOFIJWSA-N |
Product Overview
3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate (CAS 101492-30-2), with molecular formula C25H22BrClO4 and molecular weight 500.04 g/mol. IUPAC: trans-(3-phenoxyphenyl)methyl (1R,2R)-2-bromo-2-chloro-1-(4-ethoxyphenyl)cyclopropane-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 6.4 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 44.8 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 4 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 101492-30-2.
What is the molecular formula of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate?
The molecular formula of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate is C25H22BrClO4.
What is the molecular weight of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate?
The molecular weight of 3-phenoxybenzyl 1-(4-ethoxyphenyl)cyclopropanecarboxylate is 500.04 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.