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CAS 98947-25-2 4-(4-Chloro-phenyl)-3-methyl-isoxazol-5-ylamine molecular structure lightbox
CAS RN: 98947-25-2

4-(4-Chloro-phenyl)-3-methyl-isoxazol-5-ylamine

  • Product code: SSC-212878
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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: ≥95%
  • 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 98947-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

98947-25-2 / 4-(4-chlorophenyl)-3-methyl-1,2-oxazol-5-amine

Standard CAS: 98947-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98947-25-2
Multi CAS
No
Molecular Formula
C10H9CLN2O
Molecular Weight
208.640000
Exact Mass
208.040341
InChI
InChI=1S/C10H9ClN2O/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,12H2,1H3
InChIKey
UHWNZTCXHWOFSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.1
TPSA
52.05

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.71
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-1.94

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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