CAS RN: 1707289-89-1
(3S,4S)-4-azidotetrahydro-2H-pyran-3-amine hydrochloride
- Product code: SSC-075169
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
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
1707289-89-1 / (3S,4S)-4-azidooxan-3-amine;hydrochloride
Basic Information
CAS
1707289-89-1
Multi CAS
No
Molecular Formula
C5H11ClN4O
Molecular Weight
178.620000
Exact Mass
178.062139
SMILES
C1COC[C@H]([C@H]1N=[N+]=[N-])N.Cl
InChI
InChI=1S/C5H10N4O.ClH/c6-4-3-10-2-1-5(4)8-9-7;/h4-5H,1-3,6H2;1H/t4-,5+;/m1./s1
InChIKey
JTNQFAMEMXUHBS-JBUOLDKXSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.59
TPSA
84.01
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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