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CAS 153250-52-3 N,N’-DICYCLOHEXYL-2,6-NAPHTHALENEDICARBOXAMIDE molecular structure lightbox
CAS RN: 153250-52-3

N,N’-DICYCLOHEXYL-2,6-NAPHTHALENEDICARBOXAMIDE

  • Product code: SSC-062772
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 153250-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

153250-52-3 / 2-N,6-N-dicyclohexylnaphthalene-2,6-dicarboxamide

Standard CAS: 153250-52-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153250-52-3
Multi CAS
No
Molecular Formula
C24H30N2O2
Molecular Weight
378.500000
Exact Mass
378.230728
SMILES
C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)NC4CCCCC4
InChI
InChI=1S/C24H30N2O2/c27-23(25-21-7-3-1-4-8-21)19-13-11-18-16-20(14-12-17(18)15-19)24(28)26-22-9-5-2-6-10-22/h11-16,21-22H,1-10H2,(H,25,27)(H,26,28)
InChIKey
MBSRTKPGZKQXQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
112.63
TPSA
58.2

LogP / Solubility

WLOGP
4.96
MLOGP
4.39
XLogP3
5.3
Consensus LogP
4.88
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
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)
-1.5

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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