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CAS 1011465-24-9 R-3,3′-bis((3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate molecular structure lightbox
CAS RN: 1011465-24-9

R-3,3′-bis((3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 100mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260520 1g In stock Shanghai Inquiry
Batchno.20250516 250mg Out of stock Inquiry
Batchno.20250705 5g Out of stock Inquiry
  • Product code: SSC-001997
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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 1011465-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1011465-24-9 / 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide

(11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin | (S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate | R-3,3'-bis((3,5-bis(trifluoroMethyl)phenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate

Standard CAS: 1011465-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1011465-24-9
Multi CAS
No
Molecular Formula
C36H25F12O4P
Molecular Weight
780.500000
Exact Mass
780.129884
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C36H25F12O4P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)52-53(49,50)51-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16H,1-8H2,(H,49,50)
InChIKey
INSXQFYWKHPSHX-UHFFFAOYSA-N
Synonyms
(11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin (S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate R-3,3'-bis((3,5-bis(trifluoroMethyl)phenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate MFCD30489114 (R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
167.12
TPSA
55.76

LogP / Solubility

WLOGP
12.39
MLOGP
10.97
XLogP3
11.9
Consensus LogP
11.75
Log S (ESOL)
-12.69
Class (ESOL)
Insoluble
Log S (Ali)
-14.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.26
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)
1.32

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

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