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CAS 52882-14-1 2-Oxazolamine,4,5-dihydro-4-methyl-,(R)-(9CI) molecular structure lightbox
CAS RN: 52882-14-1

2-Oxazolamine,4,5-dihydro-4-methyl-,(R)-(9CI)

  • Product code: SSC-160023
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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 52882-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

52882-14-1 / (4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-amine

Standard CAS: 52882-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52882-14-1
Multi CAS
No
Molecular Formula
C4H8N2O
Molecular Weight
100.120000
Exact Mass
100.063663
InChI
InChI=1S/C4H8N2O/c1-3-2-7-4(5)6-3/h3H,2H2,1H3,(H2,5,6)/t3-/m1/s1
InChIKey
PIXPFRMNXPKTFS-GSVOUGTGSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
1
Molar refractivity
27.04
TPSA
47.61

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.26
XLogP3
-0.4
Consensus LogP
-0.31
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.08
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)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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