CAS RN: 1403248-75-8
1-(4-aminopyridin-2-yl)azetidin-3-ol
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.20260109 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1403248-75-8
- Purity/Analytical Methods: >99.0%
1403248-75-8 / 1-(4-amino-2-pyridinyl)azetidin-3-ol
Basic Information
CAS
1403248-75-8
Multi CAS
No
Molecular Formula
C8H11N3O
Molecular Weight
165.190000
Exact Mass
165.090212
SMILES
C1C(CN1C2=NC=CC(=C2)N)O
InChI
InChI=1S/C8H11N3O/c9-6-1-2-10-8(3-6)11-4-7(12)5-11/h1-3,7,12H,4-5H2,(H2,9,10)
InChIKey
FHKIMCAYCMRMFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.87
TPSA
62.38
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.2
Consensus LogP
-0.17
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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