CAS RN: 63940-51-2
rac Atomoxetine
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.20250223 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63940-51-2
- Purity/Analytical Methods: >99.0%
63940-51-2 / (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Basic Information
CAS
63940-51-2
Multi CAS
Yes
Molecular Formula
C17H21NO
Molecular Weight
255.350000
Exact Mass
255.162314
InChI
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
InChIKey
VHGCDTVCOLNTBX-UHFFFAOYSA-N
Physical Properties
Melting Point
161-165 ºC
Boiling Point
64-65 ºC at 0.760 mmHg
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.53
TPSA
21.26
LogP / Solubility
WLOGP
3.72
MLOGP
3.28
XLogP3
3.7
Consensus LogP
3.57
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: starshine_CAS63959-47-7
- Purity/Analytical method: >99.0%
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