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CAS 90087-36-8 5-ISOPROPYL-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 90087-36-8

5-ISOPROPYL-3-METHYLISOXAZOLE-4-CARBOXYLIC ACID

  • Product code: SSC-202526
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90087-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

90087-36-8 / 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

Standard CAS: 90087-36-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90087-36-8
Multi CAS
Yes
Molecular Formula
C8H11NO3
Molecular Weight
169.180000
Exact Mass
169.073893
InChI
InChI=1S/C8H11NO3/c1-4(2)7-6(8(10)11)5(3)9-12-7/h4H,1-3H3,(H,10,11)
InChIKey
SOKXYOBQBBFXOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.29
TPSA
63.33

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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