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CAS 153409-14-4 (6S)-5,6,7,8-Tetrahydro-6-[[2-(2-thienyl)ethyl]amino]-1-naphthalenol molecular structure lightbox
CAS RN: 153409-14-4

(6S)-5,6,7,8-Tetrahydro-6-[[2-(2-thienyl)ethyl]amino]-1-naphthalenol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260519 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS153409-14-4
  • Purity/Analytical Methods: >99.0%
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153409-14-4 / (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

Standard CAS: 153409-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153409-14-4
Multi CAS
No
Molecular Formula
C16H19NOS
Molecular Weight
273.400000
Exact Mass
273.118735
SMILES
C1CC2=C(C[C@H]1NCCC3=CC=CS3)C=CC=C2O
InChI
InChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2/t13-/m0/s1
InChIKey
RDMWWGLKUMLLTG-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.95
TPSA
32.26

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3.5
Consensus LogP
3.14
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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