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CAS 947402-59-7 N-(dicyclohexylphosphino)-2-(2μ-methylphenyl)-1H-indole molecular structure lightbox
CAS RN: 947402-59-7

N-(dicyclohexylphosphino)-2-(2μ-methylphenyl)-1H-indole

  • Product code: SSC-209915
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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, 5g, 1g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 947402-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Beijing Inquiry

947402-59-7 / dicyclohexyl-[2-(2-methylphenyl)indol-1-yl]phosphane

Standard CAS: 947402-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
947402-59-7
Multi CAS
No
Molecular Formula
C27H34NP
Molecular Weight
403.500000
Exact Mass
403.242887
InChI
InChI=1S/C27H34NP/c1-21-12-8-10-18-25(21)27-20-22-13-9-11-19-26(22)28(27)29(23-14-4-2-5-15-23)24-16-6-3-7-17-24/h8-13,18-20,23-24H,2-7,14-17H2,1H3
InChIKey
KESYNFLRGDUANT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
128.18
TPSA
4.93

LogP / Solubility

WLOGP
8.53
MLOGP
7.53
XLogP3
7.7
Consensus LogP
7.92
Log S (ESOL)
-7.83
Class (ESOL)
Insoluble
Log S (Ali)
-9.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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