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CAS 86685-95-2 3-(3-CHLORO-PHENYL)-ISOXAZOL-5-YLAMINE molecular structure lightbox
CAS RN: 86685-95-2

3-(3-CHLORO-PHENYL)-ISOXAZOL-5-YLAMINE

  • Product code: SSC-195934
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 86685-95-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 1 In Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

86685-95-2 / 3-(3-chlorophenyl)-1,2-oxazol-5-amine

Standard CAS: 86685-95-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86685-95-2
Multi CAS
No
Molecular Formula
C9H7CLN2O
Molecular Weight
194.620000
Exact Mass
194.024691
InChI
InChI=1S/C9H7ClN2O/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKey
LSTPIZJDZXGQFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.36
TPSA
52.05

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.3
Consensus LogP
2.38
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

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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