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CAS 1228600-99-4 S-3,3′-bis(3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol molecular structure lightbox
CAS RN: 1228600-99-4

S-3,3′-bis(3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250109 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251209 100mg In stock Shanghai Inquiry
Batchno.20250516 1g In stock Tianjin Inquiry
Batchno.20260626 250mg In stock Shanghai Inquiry
Batchno.20260128 5g Out of stock Inquiry
  • Product code: SSC-026481
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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 1228600-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1228600-99-4 / 3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

Standard CAS: 1228600-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228600-99-4
Multi CAS
No
Molecular Formula
C36H26F12O2
Molecular Weight
718.600000
Exact Mass
718.174118
SMILES
C1CCC2=C(C(=C(C=C2C1)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C4=C5CCCCC5=CC(=C4O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C36H26F12O2/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(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16,49-50H,1-8H2
InChIKey
IZGSABWUJQZVAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
159.37
TPSA
40.46

LogP / Solubility

WLOGP
11.93
MLOGP
10.56
XLogP3
12.4
Consensus LogP
11.63
Log S (ESOL)
-11.97
Class (ESOL)
Insoluble
Log S (Ali)
-14.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.59
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)
1.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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