CAS RN: 1148154-91-9
(S)-5-Methoxy-N-propyl-N-(2-(thiophen-2-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-2-aMine
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.20250528 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1148154-91-9
- Purity/Analytical Methods: >99.0%
1148154-91-9 / (2S)-5-methoxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
2-Thiopheneethanamine, N-propyl-N-(1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl)- | Rotigotine Impurity 5 | SCHEMBL1682779
Basic Information
CAS
1148154-91-9
Multi CAS
Yes
Molecular Formula
C20H27NOS
Molecular Weight
329.500000
Exact Mass
329.181336
SMILES
CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3OC
InChI
InChI=1S/C20H27NOS/c1-3-12-21(13-11-18-7-5-14-23-18)17-9-10-19-16(15-17)6-4-8-20(19)22-2/h4-8,14,17H,3,9-13,15H2,1-2H3/t17-/m0/s1
InChIKey
AXOQYAWBBDSEMG-KRWDZBQOSA-N
Synonyms
2-Thiopheneethanamine, N-propyl-N-(1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl)-
Rotigotine Impurity 5
SCHEMBL1682779
SCHEMBL31556291
AXOQYAWBBDSEMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
98.69
TPSA
12.47
LogP / Solubility
WLOGP
4.57
MLOGP
4.04
XLogP3
5.2
Consensus LogP
4.6
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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