CAS RN: 330975-13-8
3-Furanol,4-aminotetrahydro-,(3R,4S)-rel-(9CI)
- Product code: SSC-138976
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
330975-13-8 / (3R,4S)-4-aminooxolan-3-ol
Basic Information
CAS
330975-13-8
Multi CAS
Yes
Molecular Formula
C4H9NO2
Molecular Weight
103.120000
Exact Mass
103.063329
InChI
InChI=1S/C4H9NO2/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4-/m1/s1
InChIKey
HQVKXDYSIGDGSY-QWWZWVQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
24.8
TPSA
55.48
LogP / Solubility
WLOGP
-1.3
MLOGP
-1.15
XLogP3
-1.6
Consensus LogP
-1.35
Log S (ESOL)
0.34
Class (ESOL)
Highly soluble
Log S (Ali)
0.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.74
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.27
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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