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CAS 849939-13-5 (S)-(-)-3,3′-BIS(3,5-BIS(TRIFLUOROMETHY& molecular structure lightbox
CAS RN: 849939-13-5

(S)-(-)-3,3′-BIS(3,5-BIS(TRIFLUOROMETHY&

Product Availability

Choose a grade to view its available package options.

9 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 100g Out of stock Inquiry
Batchno.20250323 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260404 10g Out of stock Inquiry
Batchno.20250607 1g In stock Shanghai Inquiry
Batchno.20251103 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250809 25g Out of stock Inquiry
Batchno.20251125 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20260615 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192802
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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 849939-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

849939-13-5 / 3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

Standard CAS: 849939-13-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849939-13-5
Multi CAS
Yes
Molecular Formula
C36F12H18O2
Molecular Weight
710.500000
Exact Mass
710.111518
InChI
InChI=1S/C36H18F12O2/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/h1-16,49-50H
InChIKey
PGXMYJSTCAQJBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
32
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
161.1
TPSA
40.46

LogP / Solubility

WLOGP
12.48
MLOGP
11.04
XLogP3
12.1
Consensus LogP
11.87
Log S (ESOL)
-12.38
Class (ESOL)
Insoluble
Log S (Ali)
-14.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15
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)
1.81

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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