![CAS 1232344-35-2 N-[(2S)-1,2,3,4-Tetrahydro-5-methoxy-2-naphthalenyl]-2-thiopheneethanamine hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1232344-35-2.gif)
CAS RN: 1232344-35-2
N-[(2S)-1,2,3,4-Tetrahydro-5-methoxy-2-naphthalenyl]-2-thiopheneethanamine hydrochloride (1:1)
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.20250408 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1232344-35-2
- Purity/Analytical Methods: >99.0%
1232344-35-2 / (2S)-5-methoxy-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
Basic Information
CAS
1232344-35-2
Multi CAS
No
Molecular Formula
C17H22ClNOS
Molecular Weight
323.900000
Exact Mass
323.111063
SMILES
COC1=CC=CC2=C1CC[C@@H](C2)NCCC3=CC=CS3.Cl
InChI
InChI=1S/C17H21NOS.ClH/c1-19-17-6-2-4-13-12-14(7-8-16(13)17)18-10-9-15-5-3-11-20-15;/h2-6,11,14,18H,7-10,12H2,1H3;1H/t14-;/m0./s1
InChIKey
BNVOOCGMHFSIKN-UQKRIMTDSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.08
TPSA
21.26
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3.87
Consensus LogP
3.72
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
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)
-1.95
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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