![CAS 438565-33-4 [3-(2-CHLORO-PHENYL)-ISOXAZOL-5-YL]-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/438565-33-4.gif)
CAS RN: 438565-33-4
[3-(2-CHLORO-PHENYL)-ISOXAZOL-5-YL]-METHANOL
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-151936
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: 1g, 5g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
438565-33-4 / [3-(2-chlorophenyl)-1,2-oxazol-5-yl]methanol
Basic Information
CAS
438565-33-4
Multi CAS
Yes
Molecular Formula
C10H8CLNO2
Molecular Weight
209.630000
Exact Mass
209.024356
InChI
InChI=1S/C10H8ClNO2/c11-9-4-2-1-3-8(9)10-5-7(6-13)14-12-10/h1-5,13H,6H2
InChIKey
SSRHWYXRRHPGRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.87
TPSA
46.26
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
1.8
Consensus LogP
2.16
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.23
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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