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CAS 124845-04-1 5-CYCLOPROPYLISOXAZOLE-4-CARBOXYLIC ACI& molecular structure lightbox
CAS RN: 124845-04-1

5-CYCLOPROPYLISOXAZOLE-4-CARBOXYLIC ACI&

  • Product code: SSC-029114
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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: ＞97%
  • 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 124845-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

124845-04-1 / 5-cyclopropyl-1,2-oxazole-4-carboxylic acid

Standard CAS: 124845-04-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
124845-04-1
Multi CAS
No
Molecular Formula
C7H7NO3
Molecular Weight
153.140000
Exact Mass
153.042593
SMILES
C1CC1C2=C(C=NO2)C(=O)O
InChI
InChI=1S/C7H7NO3/c9-7(10)5-3-8-11-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKey
KIJMAOMSRMPYIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.44
TPSA
63.33

LogP / Solubility

WLOGP
1.25
MLOGP
1.09
XLogP3
0.5
Consensus LogP
0.95
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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