CAS RN: 1643684-06-3
Atomoxetine EP Impurity C HCl
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260623 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1643684-06-3
- Purity/Analytical Methods: >99.0%
1643684-06-3 / (3R)-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
Basic Information
CAS
1643684-06-3
Multi CAS
No
Molecular Formula
C17H22ClNO
Molecular Weight
291.800000
Exact Mass
291.138992
SMILES
CC1=CC=C(C=C1)O[C@H](CCNC)C2=CC=CC=C2.Cl
InChI
InChI=1S/C17H21NO.ClH/c1-14-8-10-16(11-9-14)19-17(12-13-18-2)15-6-4-3-5-7-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1
InChIKey
JVGQLTAODNXGTO-UNTBIKODSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.78
TPSA
21.26
LogP / Solubility
WLOGP
4.15
MLOGP
3.66
XLogP3
4.15
Consensus LogP
3.99
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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