3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether
TL;DR: 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether (CAS 80853-81-2) is a chemical compound with molecular formula C25H27ClO3 and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Also Known As: benzene,1-((2-3-phenoxy-, Benzene,1-((2- -3-phenoxy-, 3-Phenoxybenzyl 2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl ether, 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether, 4-ethoxy-3-chloroneophyl m-phenoxybenzyl ether
| Molecular Formula | C25H27ClO3 |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 7.0254 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1649 |
| Heavy Atoms | 29 |
| Complexity | 922.3614 |
Chemical Identifiers
| CAS Number | 80853-81-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3)Cl |
Product Overview
3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether (CAS 80853-81-2), with molecular formula C25H27ClO3 and molecular weight 410.16 g/mol. IUPAC: 2-chloro-1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
Chemical Property Profile of 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether
Property Insights of 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether
The XLogP value of 7.0254 indicates that 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether 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-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether?
The CAS number of 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether is 80853-81-2.
What is the molecular formula of 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether?
The molecular formula of 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether is C25H27ClO3.
What is the molecular weight of 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether?
The molecular weight of 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether is 410.16 g/mol.
Where can I buy 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether?
You can request a quote for 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.