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CAS 35261-01-9 5-AMINO-3-METHYL-4-ISOXAZOLECARBONITRILE molecular structure lightbox
CAS RN: 35261-01-9

5-AMINO-3-METHYL-4-ISOXAZOLECARBONITRILE

  • Product code: SSC-142214
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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 35261-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

35261-01-9 / 5-amino-3-methyl-1,2-oxazole-4-carbonitrile

Standard CAS: 35261-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35261-01-9
Multi CAS
No
Molecular Formula
C5H5N3O
Molecular Weight
123.110000
Exact Mass
123.043262
InChI
InChI=1S/C5H5N3O/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey
HWUGKLXAHRZZPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
30.37
TPSA
75.84

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
0.7
Consensus LogP
0.51
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-3.16

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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