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CAS 47304-99-4 Bis(2-naphthalenylMethyl)aMine molecular structure lightbox
CAS RN: 47304-99-4

Bis(2-naphthalenylMethyl)aMine

  • Product code: SSC-154211
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 47304-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry

47304-99-4 / 1-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)methanamine

Standard CAS: 47304-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
47304-99-4
Multi CAS
No
Molecular Formula
C22H19N
Molecular Weight
297.400000
Exact Mass
297.151750
InChI
InChI=1S/C22H19N/c1-3-7-21-13-17(9-11-19(21)5-1)15-23-16-18-10-12-20-6-2-4-8-22(20)14-18/h1-14,23H,15-16H2
InChIKey
SIAVZWAYCUNWAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
98.44
TPSA
12.03

LogP / Solubility

WLOGP
5.28
MLOGP
4.66
XLogP3
5.3
Consensus LogP
5.08
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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