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CAS 947402-60-0 N-(Dicyclohexylphosphino)-2-(2′-methoxyphenyl)indole molecular structure lightbox
CAS RN: 947402-60-0

N-(Dicyclohexylphosphino)-2-(2′-methoxyphenyl)indole

  • Product code: SSC-209916
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 947402-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

947402-60-0 / dicyclohexyl-[2-(2-methoxyphenyl)indol-1-yl]phosphane

Standard CAS: 947402-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
947402-60-0
Multi CAS
No
Molecular Formula
C27H34NOP
Molecular Weight
419.500000
Exact Mass
419.237802
InChI
InChI=1S/C27H34NOP/c1-29-27-19-11-9-17-24(27)26-20-21-12-8-10-18-25(21)28(26)30(22-13-4-2-5-14-22)23-15-6-3-7-16-23/h8-12,17-20,22-23H,2-7,13-16H2,1H3
InChIKey
CVYNBXIELBXSRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
129.99
TPSA
14.16

LogP / Solubility

WLOGP
8.23
MLOGP
7.27
XLogP3
7.3
Consensus LogP
7.6
Log S (ESOL)
-7.66
Class (ESOL)
Insoluble
Log S (Ali)
-8.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.82
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)
0.56

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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