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CAS 1096770-58-9 (3R,4S)-4-aMinooxan-3-ol molecular structure lightbox
CAS RN: 1096770-58-9

(3R,4S)-4-aMinooxan-3-ol

  • Product code: SSC-011018
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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 1096770-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1096770-58-9 / (3R,4S)-4-aminooxan-3-ol

4-aminooxan-3-ol | 4-aminotetrahydro-2H-pyran-3-ol | 4-Amino-tetrahydro-pyran-3-ol

Standard CAS: 1096770-58-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1096770-58-9
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
SMILES
C1COC[C@@H]([C@H]1N)O
InChI
InChI=1S/C5H11NO2/c6-4-1-2-8-3-5(4)7/h4-5,7H,1-3,6H2/t4-,5-/m0/s1
InChIKey
PBQHDTRHGNGTLZ-WHFBIAKZSA-N
Synonyms
4-aminooxan-3-ol 4-aminotetrahydro-2H-pyran-3-ol 4-Amino-tetrahydro-pyran-3-ol MFCD13192573 3-Amino-1,5-anhydro-2,3-dideoxy-pentitol

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.42
TPSA
55.48

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.81
XLogP3
-1.3
Consensus LogP
-1.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.33
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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