CAS RN: 1431520-52-3
UWA-101 (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.20250824 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1431520-52-3
- Purity/Analytical Methods: >99.0%
1431520-52-3 / 2-(1,3-benzodioxol-5-yl)-1-cyclopropyl-N-methylethanamine;hydrochloride
Basic Information
CAS
1431520-52-3
Multi CAS
No
Molecular Formula
C13H18ClNO2
Molecular Weight
255.740000
Exact Mass
255.102607
SMILES
CNC(CC1=CC2=C(C=C1)OCO2)C3CC3.Cl
InChI
InChI=1S/C13H17NO2.ClH/c1-14-11(10-3-4-10)6-9-2-5-12-13(7-9)16-8-15-12;/h2,5,7,10-11,14H,3-4,6,8H2,1H3;1H
InChIKey
RTPDALMALRMSMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.09
TPSA
30.49
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2.38
Consensus LogP
2.29
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
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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