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CAS 59399-41-6 ethyl 2-(4-chlorophenyl)-5-ethoxy-4-oxazoleacetate molecular structure lightbox
CAS RN: 59399-41-6

ethyl 2-(4-chlorophenyl)-5-ethoxy-4-oxazoleacetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS59399-41-6
  • Purity/Analytical Methods: >99.0%
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59399-41-6 / ethyl 2-[2-(4-chlorophenyl)-5-ethoxy-1,3-oxazol-4-yl]acetate

Standard CAS: 59399-41-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59399-41-6
Multi CAS
Yes
Molecular Formula
C15H16CLNO4
Molecular Weight
309.740000
Exact Mass
309.076786
InChI
InChI=1S/C15H16ClNO4/c1-3-19-13(18)9-12-15(20-4-2)21-14(17-12)10-5-7-11(16)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey
UIIVBIAACZGMEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
78.46
TPSA
61.56

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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