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CAS 171867-34-8 BIS((S)-(+)-1-(1-NAPHTHYL)ETHYL)AMINE molecular structure lightbox
CAS RN: 171867-34-8

BIS((S)-(+)-1-(1-NAPHTHYL)ETHYL)AMINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260213 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS171867-34-8
  • Purity/Analytical Methods: >99.0%
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171867-34-8 / (1S)-1-naphthalen-1-yl-N-[(1S)-1-naphthalen-1-ylethyl]ethanamine;hydrochloride

Standard CAS: 171867-34-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
171867-34-8
Multi CAS
No
Molecular Formula
C24H24ClN
Molecular Weight
361.900000
Exact Mass
361.159728
SMILES
C[C@@H](C1=CC=CC2=CC=CC=C21)N[C@@H](C)C3=CC=CC4=CC=CC=C43.Cl
InChI
InChI=1S/C24H23N.ClH/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)25-18(2)22-16-8-12-20-10-4-6-14-24(20)22;/h3-18,25H,1-2H3;1H/t17-,18-;/m0./s1
InChIKey
SESSHTRTZDHACX-APTPAJQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
115.11
TPSA
12.03

LogP / Solubility

WLOGP
6.83
MLOGP
6.03
XLogP3
6.83
Consensus LogP
6.56
Log S (ESOL)
-6.69
Class (ESOL)
Insoluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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