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CAS 946426-89-7 (5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)ISOXAZOL-4-YL)METHANOL molecular structure lightbox
CAS RN: 946426-89-7

(5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)ISOXAZOL-4-YL)METHANOL

  • Product code: SSC-209764
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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, 10g, 5g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 946426-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

946426-89-7 / [5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methanol

Standard CAS: 946426-89-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946426-89-7
Multi CAS
No
Molecular Formula
C13H11CL2NO2
Molecular Weight
284.130000
Exact Mass
283.016684
InChI
InChI=1S/C13H11Cl2NO2/c14-9-2-1-3-10(15)11(9)12-8(6-17)13(18-16-12)7-4-5-7/h1-3,7,17H,4-6H2
InChIKey
KRGFOUGVZFEEBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.86
TPSA
46.26

LogP / Solubility

WLOGP
4.02
MLOGP
3.55
XLogP3
3
Consensus LogP
3.52
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6

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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