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CAS 5819-39-6 4-Chloro-5-methyl-isoxazol-3-ylamine molecular structure lightbox
CAS RN: 5819-39-6

4-Chloro-5-methyl-isoxazol-3-ylamine

  • Product code: SSC-166432
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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: 5g
  • 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 5819-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

5819-39-6 / 4-chloro-5-methyl-1,2-oxazol-3-amine

Standard CAS: 5819-39-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5819-39-6
Multi CAS
No
Molecular Formula
C4H5CLN2O
Molecular Weight
132.550000
Exact Mass
132.009041
InChI
InChI=1S/C4H5ClN2O/c1-2-3(5)4(6)7-8-2/h1H3,(H2,6,7)
InChIKey
DWVOVXRNQIXUEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
30.66
TPSA
52.05

LogP / Solubility

WLOGP
1.22
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-2.66

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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