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CAS 53213-94-8 3,3′-Dipropylthiadicarbocyanine Iodide molecular structure lightbox
CAS RN: 53213-94-8

3,3′-Dipropylthiadicarbocyanine Iodide

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 100mg In stock Shanghai Inquiry
Batchno.20260211 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260609 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250928 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20260321 5g In stock Shanghai Inquiry
  • Product code: SSC-160423
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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 53213-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

53213-94-8 / 3-propyl-2-[5-(3-propyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide

Standard CAS: 53213-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53213-94-8
Multi CAS
Yes
Molecular Formula
C25H27In2S2
Molecular Weight
546.500000
Exact Mass
546.066040
InChI
InChI=1S/C25H27N2S2.HI/c1-3-18-26-20-12-8-10-14-22(20)28-24(26)16-6-5-7-17-25-27(19-4-2)21-13-9-11-15-23(21)29-25;/h5-17H,3-4,18-19H2,1-2H3;1H/q+1;/p-1
InChIKey
GDEURKKLNUGTDA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
128.5
TPSA
7.12

LogP / Solubility

WLOGP
4.04
MLOGP
3.59
XLogP3
4.04
Consensus LogP
3.89
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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