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CAS 127986-84-9 (S)-(-)-ALPHA,ALPHA-DI(2-NAPHTHYL)-2-PYRROLIDINEMETHANOL molecular structure lightbox
CAS RN: 127986-84-9

(S)-(-)-ALPHA,ALPHA-DI(2-NAPHTHYL)-2-PYRROLIDINEMETHANOL

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 1g In stock Inquiry
Batchno.20250725 250mg In stock Inquiry
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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS127986-84-9
  • Purity/Analytical Methods: >99.0%
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127986-84-9 / dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methanol

Standard CAS: 127986-84-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
127986-84-9
Multi CAS
No
Molecular Formula
C25H23NO
Molecular Weight
353.500000
Exact Mass
353.177964
SMILES
C1C[C@H](NC1)C(C2=CC3=CC=CC=C3C=C2)(C4=CC5=CC=CC=C5C=C4)O
InChI
InChI=1S/C25H23NO/c27-25(24-10-5-15-26-24,22-13-11-18-6-1-3-8-20(18)16-22)23-14-12-19-7-2-4-9-21(19)17-23/h1-4,6-9,11-14,16-17,24,26-27H,5,10,15H2/t24-/m0/s1
InChIKey
LNUDNNFEXRHHGY-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
20
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
111.92
TPSA
32.26

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
5.2
Consensus LogP
4.86
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.45
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)
-1.34

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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