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CAS 401647-18-5 C-ISOXAZOL-5-YL-METHYLAMINE molecular structure lightbox
CAS RN: 401647-18-5

C-ISOXAZOL-5-YL-METHYLAMINE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-148188
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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: 0.25g
  • 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 401647-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

401647-18-5 / 1,2-oxazol-5-ylmethanamine

Standard CAS: 401647-18-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
401647-18-5
Multi CAS
Yes
Molecular Formula
C4H6N2O
Molecular Weight
98.100000
Exact Mass
98.048013
InChI
InChI=1S/C4H6N2O/c5-3-4-1-2-6-7-4/h1-2H,3,5H2
InChIKey
OYNWFDBANWIYDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
24.39
TPSA
52.05

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
-0.7
Consensus LogP
-0.15
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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)
-3.22

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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