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CAS 1160861-60-8 2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2′,4′,6′-triisopropyl-1,1′-biphenyl 95% molecular structure lightbox
CAS RN: 1160861-60-8

2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2′,4′,6′-triisopropyl-1,1′-biphenyl 95%

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 100mg In stock Inquiry
Batchno.20250718 1g Out of stock Inquiry
Batchno.20260628 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251002 10g In stock Shanghai Inquiry
Batchno.20260623 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251231 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260519 5g In stock Shanghai Inquiry
  • Product code: SSC-016216
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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: 1g
  • 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 1160861-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1160861-60-8 / bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

DTXSID50659623 | Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane | Bis[3,5-bis(trifluoromethyl)phenyl][3,6-dimethoxy-2',4',6'-tri(propan-2-yl)[1,1'-biphenyl]-2-yl]phosphane

Standard CAS: 1160861-60-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1160861-60-8
Multi CAS
Yes
Molecular Formula
C39H37F12O2P
Molecular Weight
796.700000
Exact Mass
796.233955
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC)OC)C(C)C
InChI
InChI=1S/C39H37F12O2P/c1-19(2)22-11-29(20(3)4)33(30(12-22)21(5)6)34-31(52-7)9-10-32(53-8)35(34)54(27-15-23(36(40,41)42)13-24(16-27)37(43,44)45)28-17-25(38(46,47)48)14-26(18-28)39(49,50)51/h9-21H,1-8H3
InChIKey
KYTUFIMHJNRPLC-UHFFFAOYSA-N
Synonyms
DTXSID50659623 Bis(3,5-bis(trifluoromethyl)phenyl)(3,6-dimethoxy-2',4',6'-tri(propan-2-yl)(1,1'-biphenyl)-2-yl)phosphane Bis[3,5-bis(trifluoromethyl)phenyl][3,6-dimethoxy-2',4',6'-tri(propan-2-yl)[1,1'-biphenyl]-2-yl]phosphane RefChem:1079940 DTXCID70610372

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
24
Fraction Csp3
0.38
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
185.96
TPSA
18.46

LogP / Solubility

WLOGP
12.57
MLOGP
11.14
XLogP3
13.1
Consensus LogP
12.27
Log S (ESOL)
-12.44
Class (ESOL)
Insoluble
Log S (Ali)
-15.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.36
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)
1.35

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
4.5

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