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CAS 88352-44-7 4-Oxazoleacetic acid, 2-(4-chlorophenyl)-5-(2-furanyl)-, ethyl ester molecular structure lightbox
CAS RN: 88352-44-7

4-Oxazoleacetic acid, 2-(4-chlorophenyl)-5-(2-furanyl)-, ethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS88352-44-7
  • Purity/Analytical Methods: >99.0%
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88352-44-7 / ethyl 2-[2-(4-chlorophenyl)-5-(furan-2-yl)-1,3-oxazol-4-yl]acetate

Standard CAS: 88352-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88352-44-7
Multi CAS
No
Molecular Formula
C17H14CLNO4
Molecular Weight
331.700000
Exact Mass
331.061136
InChI
InChI=1S/C17H14ClNO4/c1-2-21-15(20)10-13-16(14-4-3-9-22-14)23-17(19-13)11-5-7-12(18)8-6-11/h3-9H,2,10H2,1H3
InChIKey
HUPJQAHXMFEKJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
84.99
TPSA
65.47

LogP / Solubility

WLOGP
4.36
MLOGP
3.85
XLogP3
3.6
Consensus LogP
3.94
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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