Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester (CAS 80589-85-1) is a chemical compound with molecular formula C20H17Cl2NO4 and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[4-(3,4-dichlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetate
Also Known As: Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester, Methyl 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)benzeneacetate, 4-(4-(3,4-Dichlorophenyl)-5-ethoxy-2-oxazolyl)benzeneacetic acid methyl ester, Methyl {4-[4-(3,4-dichlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl}acetate, methyl 2-[4-[4-(3,4-dichlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetate
| Molecular Formula | C20H17Cl2NO4 |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 5.4296 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.05347 |
| Heavy Atoms | 27 |
| Complexity | 951.1156 |
Chemical Identifiers
| CAS Number | 80589-85-1 |
|---|---|
| SMILES | CCOC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)OC)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester (CAS 80589-85-1), with molecular formula C20H17Cl2NO4 and molecular weight 405.05 g/mol. IUPAC: methyl 2-[4-[4-(3,4-dichlorophenyl)-5-ethoxy-1,3-oxazol-2-yl]phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester
The XLogP value of 5.4296 indicates that Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester is 80589-85-1.
What is the molecular formula of Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester is C20H17Cl2NO4.
What is the molecular weight of Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester is 405.05 g/mol.
Where can I buy Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(4-(3,4-dichlorophenyl)-5-ethoxy-2-oxazolyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.