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CAS 1232344-37-4 N-Propyl-N-[(2S)-1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl]-2-thiopheneethanamine hydrochloride molecular structure lightbox
CAS RN: 1232344-37-4

N-Propyl-N-[(2S)-1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl]-2-thiopheneethanamine hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1232344-37-4
  • Purity/Analytical Methods: >99.0%
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1232344-37-4 / (2S)-5-methoxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

Standard CAS: 1232344-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1232344-37-4
Multi CAS
No
Molecular Formula
C20H28ClNOS
Molecular Weight
366.000000
Exact Mass
365.158013
SMILES
CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3OC.Cl
InChI
InChI=1S/C20H27NOS.ClH/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;1H/t17-;/m0./s1
InChIKey
DXOXYGJOZXEOOP-LMOVPXPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
105.94
TPSA
12.47

LogP / Solubility

WLOGP
4.99
MLOGP
4.41
XLogP3
4.99
Consensus LogP
4.8
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
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
Yes
Log Kp (skin permeation)
-1.41

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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