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CAS 93041-45-3 3-(4-METHOXYPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID molecular structure lightbox
CAS RN: 93041-45-3

3-(4-METHOXYPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS93041-45-3
  • Purity/Analytical Methods: >99.0%
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93041-45-3 / 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid

Standard CAS: 93041-45-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93041-45-3
Multi CAS
No
Molecular Formula
C12H11NO4
Molecular Weight
233.220000
Exact Mass
233.068808
InChI
InChI=1S/C12H11NO4/c1-7-10(12(14)15)11(13-17-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,14,15)
InChIKey
IKDPECCMAKOJTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.19
TPSA
72.56

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
1.9
Consensus LogP
2.11
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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