![CAS 1810070-02-0 [3-(aminomethyl)oxetan-3-yl]methanol hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1810070-02-0.gif)
CAS RN: 1810070-02-0
[3-(aminomethyl)oxetan-3-yl]methanol hydrochloride
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.20250214 | 1g | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1810070-02-0
- Purity/Analytical Methods: >99.0%
1810070-02-0 / [3-(aminomethyl)oxetan-3-yl]methanol;hydrochloride
Basic Information
CAS
1810070-02-0
Multi CAS
No
Molecular Formula
C5H12ClNO2
Molecular Weight
153.610000
Exact Mass
153.055656
SMILES
C1C(CO1)(CN)CO.Cl
InChI
InChI=1S/C5H11NO2.ClH/c6-1-5(2-7)3-8-4-5;/h7H,1-4,6H2;1H
InChIKey
HLNQEPAFYRLIOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.64
TPSA
55.48
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.55
XLogP3
-0.62
Consensus LogP
-0.6
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
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)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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