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CAS 1157989-25-7 S-3,3′-Bis(triphenylsilyl)-5,5′,6,6′,7,7′,8,8′-Octahydro-1,1′-bi-2-naphthyl phosphate molecular structure lightbox
CAS RN: 1157989-25-7

S-3,3′-Bis(triphenylsilyl)-5,5′,6,6′,7,7′,8,8′-Octahydro-1,1′-bi-2-naphthyl phosphate

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260512 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250613 100mg In stock Shanghai Inquiry
Batchno.20251219 1g Out of stock Inquiry
Batchno.20260518 250mg In stock Shanghai Inquiry
Batchno.20260214 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-015530
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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: 0.25g
  • Available purity: ≥97%
  • 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 1157989-25-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

1157989-25-7 / (13-hydroxy-13-oxo-16-triphenylsilyl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-10-yl)-triphenylsilane

(11bR)-4-Hydroxy-2,6-bis(triphenylsilyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide | MFCD31707589 | (11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis(triphenylsilyl)-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin

Standard CAS: 1157989-25-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1157989-25-7
Multi CAS
No
Molecular Formula
C56H49O4PSi2
Molecular Weight
873.100000
Exact Mass
872.290700
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O)[Si](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C56H49O4PSi2/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/h1-18,25-36,39-40H,19-24,37-38H2,(H,57,58)
InChIKey
PQNJTMDSQLWCTJ-UHFFFAOYSA-N
Synonyms
(11bR)-4-Hydroxy-2,6-bis(triphenylsilyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide MFCD31707589 (11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis(triphenylsilyl)-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin (11bS)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis(triphenylsilyl)-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin (11bS)-4-Hydroxy-2,6-bis(triphenylsilyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide

Computed Properties

Structural Parameters

Heavy atom count
63
Aromatic heavy atom count
48
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
263.48
TPSA
55.76

LogP / Solubility

WLOGP
7.74
MLOGP
6.89
XLogP3
7.74
Consensus LogP
7.46
Log S (ESOL)
-10.16
Class (ESOL)
Insoluble
Log S (Ali)
-12.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.72
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)
-2.55

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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