CAS RN: 1980007-33-7
(3R,4R)-3-AMino-4-hydroxy-tetrahydropyran HCl
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.20250727 | 100mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1980007-33-7
- Purity/Analytical Methods: >99.0%
1980007-33-7 / (3R,4R)-3-aminooxan-4-ol;hydrochloride
Basic Information
CAS
1980007-33-7
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
153.610000
Exact Mass
153.055656
SMILES
C1COC[C@H]([C@@H]1O)N.Cl
InChI
InChI=1S/C5H11NO2.ClH/c6-4-3-8-2-1-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
InChIKey
SFJKFFBPVORSEB-TYSVMGFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.67
TPSA
55.48
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.48
Consensus LogP
-0.46
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
Class (SILICOS-IT)
Very 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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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