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CAS 887591-31-3 3-(3-MORPHOLIN-4-YL-PHENYL)-ISOXAZOL-5-YLAMINE molecular structure lightbox
CAS RN: 887591-31-3

3-(3-MORPHOLIN-4-YL-PHENYL)-ISOXAZOL-5-YLAMINE

  • Product code: SSC-200405
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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 887591-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

887591-31-3 / 3-(3-morpholin-4-ylphenyl)-1,2-oxazol-5-amine

Standard CAS: 887591-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887591-31-3
Multi CAS
No
Molecular Formula
C13H15N3O2
Molecular Weight
245.280000
Exact Mass
245.116427
InChI
InChI=1S/C13H15N3O2/c14-13-9-12(15-18-13)10-2-1-3-11(8-10)16-4-6-17-7-5-16/h1-3,8-9H,4-7,14H2
InChIKey
USPFYCZKLJATSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.38
TPSA
64.52

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-2.97

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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