CAS RN: 887360-91-0
5-CYCLOPROPYL-ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER
- Product code: SSC-200269
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 0.1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
887360-91-0 / methyl 5-cyclopropyl-1,2-oxazole-3-carboxylate
Basic Information
CAS
887360-91-0
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
InChI
InChI=1S/C8H9NO3/c1-11-8(10)6-4-7(12-9-6)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
GLVAWJNBOCMLMP-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
4
Molar refractivity
39.82
TPSA
52.33
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
1.1
Consensus LogP
1.2
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.79
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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