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CAS 1661883-81-3 2-Hydroxy-3-(diphenylphosphino)-2’-[hydroxy[2-(triethylsilyl)phenyl]methyl]-[1,1’-binaphthalene] molecular structure lightbox
CAS RN: 1661883-81-3

2-Hydroxy-3-(diphenylphosphino)-2’-[hydroxy[2-(triethylsilyl)phenyl]methyl]-[1,1’-binaphthalene]

  • Product code: SSC-072556
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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: 0.5g
  • 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 1661883-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.5g ≥95% 0 Out of Stock Hong Kong Inquiry

1661883-81-3 / 3-diphenylphosphanyl-1-[2-[hydroxy-(2-triethylsilylphenyl)methyl]naphthalen-1-yl]naphthalen-2-ol

Standard CAS: 1661883-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1661883-81-3
Multi CAS
No
Molecular Formula
C45H43O2PSi
Molecular Weight
674.900000
Exact Mass
674.276994
SMILES
CC[Si](CC)(CC)C1=CC=CC=C1C(C2=C(C3=CC=CC=C3C=C2)C4=C(C(=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7)O)O
InChI
InChI=1S/C45H43O2PSi/c1-4-49(5-2,6-3)41-28-18-17-27-38(41)44(46)39-30-29-32-19-13-15-25-36(32)42(39)43-37-26-16-14-20-33(37)31-40(45(43)47)48(34-21-9-7-10-22-34)35-23-11-8-12-24-35/h7-31,44,46-47H,4-6H2,1-3H3
InChIKey
OIIJIFPAMOAOKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
38
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
214.6
TPSA
40.46

LogP / Solubility

WLOGP
9.92
MLOGP
8.79
XLogP3
9.92
Consensus LogP
9.54
Log S (ESOL)
-10.19
Class (ESOL)
Insoluble
Log S (Ali)
-12.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.21

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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