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CAS 1384966-55-5 OTIPS-DalPhos molecular structure lightbox
CAS RN: 1384966-55-5

OTIPS-DalPhos

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1384966-55-5
  • Purity/Analytical Methods: >99.0%
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1384966-55-5 / bis(1-adamantyl)-[2-tri(propan-2-yl)silyloxyphenyl]phosphane

Standard CAS: 1384966-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384966-55-5
Multi CAS
No
Molecular Formula
C35H55OPSi
Molecular Weight
550.900000
Exact Mass
550.375980
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC1=CC=CC=C1P(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6
InChI
InChI=1S/C35H55OPSi/c1-23(2)38(24(3)4,25(5)6)36-32-9-7-8-10-33(32)37(34-17-26-11-27(18-34)13-28(12-26)19-34)35-20-29-14-30(21-35)16-31(15-29)22-35/h7-10,23-31H,11-22H2,1-6H3
InChIKey
LAQRMRNBWOVSBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.83
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
166.48
TPSA
9.23

LogP / Solubility

WLOGP
10.29
MLOGP
9.09
XLogP3
10.29
Consensus LogP
9.89
Log S (ESOL)
-9.32
Class (ESOL)
Insoluble
Log S (Ali)
-11.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.22

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
10

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