Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester (CAS 80591-41-9) is a chemical compound with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[4-(4-chlorophenyl)-5-methoxy-1,3-oxazol-2-yl]phenyl]acetate
Also Known As: 3-Isocyanato-1-(trifluoroacetyl)piperidine, Methyl 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)benzeneacetate, Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester, methyl 2-[4-[4-(4-chlorophenyl)-5-methoxy-1,3-oxazol-2-yl]phenyl]acetate, Methyl {4-[4-(4-chlorophenyl)-5-methoxy-1,3-oxazol-2-yl]phenyl}acetate
| Molecular Formula | C19H16ClNO4 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 4.3861 |
| Topological Polar Surface Area | 61.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.07678 |
| Heavy Atoms | 25 |
| Complexity | 869.4447 |
Chemical Identifiers
| CAS Number | 80591-41-9 |
|---|---|
| SMILES | COC1=C(N=C(O1)C2=CC=C(C=C2)CC(=O)OC)C3=CC=C(C=C3)Cl |
Product Overview
Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester (CAS 80591-41-9), with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol. IUPAC: methyl 2-[4-[4-(4-chlorophenyl)-5-methoxy-1,3-oxazol-2-yl]phenyl]acetate.
Chemical Property Profile of Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester
The XLogP value of 4.3861 indicates that Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-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-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester is 80591-41-9.
What is the molecular formula of Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester is C19H16ClNO4.
What is the molecular weight of Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester is 357.08 g/mol.
Where can I buy Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-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-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(4-(4-chlorophenyl)-5-methoxy-2-oxazolyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.