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CAS 1228032-35-6 3,8-Bis[{3,5-bis(trifluoromethyl)}phenyl]-1,10-phenanthroline molecular structure lightbox
CAS RN: 1228032-35-6

3,8-Bis[{3,5-bis(trifluoromethyl)}phenyl]-1,10-phenanthroline

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260126 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250924 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250110 1g In stock Shanghai Inquiry
Batchno.20260104 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251004 5g In stock Shanghai Inquiry
  • Product code: SSC-026315
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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 1228032-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1228032-35-6 / 3,8-bis[3,5-bis(trifluoromethyl)phenyl]-1,10-phenanthroline

Standard CAS: 1228032-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228032-35-6
Multi CAS
No
Molecular Formula
C28H12F12N2
Molecular Weight
604.400000
Exact Mass
604.080886
SMILES
C1=CC2=CC(=CN=C2C3=NC=C(C=C31)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C28H12F12N2/c29-25(30,31)19-5-15(6-20(9-19)26(32,33)34)17-3-13-1-2-14-4-18(12-42-24(14)23(13)41-11-17)16-7-21(27(35,36)37)10-22(8-16)28(38,39)40/h1-12H
InChIKey
MIMQNTAXGBCGRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
26
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
127.92
TPSA
25.78

LogP / Solubility

WLOGP
10.19
MLOGP
9.02
XLogP3
9.2
Consensus LogP
9.47
Log S (ESOL)
-10.33
Class (ESOL)
Insoluble
Log S (Ali)
-11.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.29
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)
0.83

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
5

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