[email protected]
CAS 514-73-8 3,3′-DIETHYLTHIADICARBOCYANINE IODIDE molecular structure lightbox
CAS RN: 514-73-8

3,3′-DIETHYLTHIADICARBOCYANINE IODIDE

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250326 1g In stock Inquiry
Batchno.20251130 250mg In stock Inquiry
Batchno.20260204 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250330 100mg Out of stock Inquiry
  • Product code: SSC-158241
GET A QUOTE
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: 0.1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 514-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shanghai Inquiry

514-73-8 / 3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide

Standard CAS: 514-73-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
514-73-8
Multi CAS
Yes
Molecular Formula
C23H23In2S2
Molecular Weight
518.500000
Exact Mass
518.034740
InChI
InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
MNQDKWZEUULFPX-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
119.27
TPSA
7.12

LogP / Solubility

WLOGP
3.26
MLOGP
2.9
XLogP3
3.26
Consensus LogP
3.14
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.57

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

Customers Also Viewed

Get In Touch

Contact Us