CAS RN: 791616-55-2
(R)-(-)-3,3′-BIS(TRIPHENYLSILYL)-1,1′-BINAPHTHYL-2,2′-DIYL HYDROGENPHOSPHATE
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
- Product code: SSC-188383
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, 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
791616-55-2 / (13-hydroxy-13-oxo-16-triphenylsilyl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl)-triphenylsilane
Basic Information
CAS
791616-55-2
Multi CAS
No
Molecular Formula
C56H41O4PSi2
Molecular Weight
865.100000
Exact Mass
864.228100
InChI
InChI=1S/C56H41O4PSi2/c57-61(58)59-55-51(62(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)60-61)63(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H,(H,57,58)
InChIKey
BDQOCXQVIFQJRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
56
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
265.2
TPSA
55.76
LogP / Solubility
WLOGP
8.29
MLOGP
7.37
XLogP3
8.29
Consensus LogP
7.98
Log S (ESOL)
-10.55
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.12
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)
-2.11
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
8
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