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CAS RN: 1353986-07-8
Benzooxazol-2-yl-piperidin-3-ylMethyl-aMine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250609 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1353986-07-8
- Purity/Analytical Methods: >99.0%
1353986-07-8 / N-(piperidin-3-ylmethyl)-1,3-benzoxazol-2-amine;hydrochloride
Basic Information
CAS
1353986-07-8
Multi CAS
No
Molecular Formula
C13H18ClN3O
Molecular Weight
267.750000
Exact Mass
267.113840
SMILES
C1CC(CNC1)CNC2=NC3=CC=CC=C3O2.Cl
InChI
InChI=1S/C13H17N3O.ClH/c1-2-6-12-11(5-1)16-13(17-12)15-9-10-4-3-7-14-8-10;/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16);1H
InChIKey
WHCNFSZBVVNPEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.34
TPSA
50.09
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1353989-77-1 [1-(6-Methoxy-pyriMidin-4-yl)-piperidin-3-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02577449(1).gif)