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CAS 134339-08-5 1,1′-Dibutyl-3,3,3′,3′-tetramethylindotricarbocyanine Hexafluorophosphate molecular structure lightbox
CAS RN: 134339-08-5

1,1′-Dibutyl-3,3,3′,3′-tetramethylindotricarbocyanine Hexafluorophosphate

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 1g Out of stock Inquiry
Batchno.20250721 200mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250408 250mg Out of stock Inquiry
  • Product code: SSC-041964
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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: 95%+
  • 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 134339-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Shanghai Inquiry

134339-08-5 / (2E)-1-butyl-2-[(2E,4E,6E)-7-(1-butyl-3,3-dimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethylindole hexafluorophosphate

Standard CAS: 134339-08-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134339-08-5
Multi CAS
No
Molecular Formula
C35H45F6N2P
Molecular Weight
638.700000
Exact Mass
638.322455
SMILES
CCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCC)(C)C.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C35H45N2.F6P/c1-7-9-26-36-30-22-18-16-20-28(30)34(3,4)32(36)24-14-12-11-13-15-25-33-35(5,6)29-21-17-19-23-31(29)37(33)27-10-8-2;1-7(2,3,4,5)6/h11-25H,7-10,26-27H2,1-6H3;/q+1;-1
InChIKey
GUFQKTNQEKEMJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
174.96
TPSA
6.25

LogP / Solubility

WLOGP
12.4
MLOGP
10.96
XLogP3
12.4
Consensus LogP
11.92
Log S (ESOL)
-11.15
Class (ESOL)
Insoluble
Log S (Ali)
-13.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.3
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.18

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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