CAS RN: 39640-71-6
trans-3,4-Dihydroxypiperidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS39640-71-6
- Purity/Analytical Methods: >99.0%
39640-71-6 / (3R,4R)-piperidine-3,4-diol
Basic Information
CAS
39640-71-6
Multi CAS
Yes
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
InChI
InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5-/m1/s1
InChIKey
IZXWMVPZODQBRB-RFZPGFLSSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
29.5
TPSA
52.49
LogP / Solubility
WLOGP
-1.3
MLOGP
-1.15
XLogP3
-1.3
Consensus LogP
-1.25
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.66
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)
-4.36
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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