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CAS 36042-28-1 4-oxazoleacetic acid, 2-methyl- molecular structure lightbox
CAS RN: 36042-28-1

4-oxazoleacetic acid, 2-methyl-

  • Product code: SSC-143137
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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: 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 36042-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

36042-28-1 / 2-(2-methyl-1,3-oxazol-4-yl)acetic acid

Standard CAS: 36042-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36042-28-1
Multi CAS
No
Molecular Formula
C6H7NO3
Molecular Weight
141.120000
Exact Mass
141.042593
InChI
InChI=1S/C6H7NO3/c1-4-7-5(3-10-4)2-6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKey
NIIQFRPJZYDYBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.58
TPSA
63.33

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-3.15

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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