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CAS 210892-23-2 Cy5.5 molecular structure lightbox
CAS RN: 210892-23-2

Cy5.5

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260522 10mg In stock Inquiry
Batchno.20250808 1mg In stock Inquiry
Batchno.20250917 25mg In stock Inquiry
Batchno.20250120 5mg In stock Inquiry
  • Product code: SSC-100548
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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: 0.25g
  • 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 210892-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

210892-23-2 / (2E)-2-[(2E,4E)-5-[3-(5-carboxypentyl)-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-ethyl-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate

Standard CAS: 210892-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210892-23-2
Multi CAS
No
Molecular Formula
C41H44N2O14S4
Molecular Weight
917.100000
Exact Mass
916.167539
SMILES
CCN\1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)[O-])C(/C1=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)CCCCCC(=O)O)(C)C
InChI
InChI=1S/C41H44N2O14S4/c1-6-42-31-18-16-27-29(21-25(58(46,47)48)23-33(27)60(52,53)54)38(31)40(2,3)35(42)13-9-7-10-14-36-41(4,5)39-30-22-26(59(49,50)51)24-34(61(55,56)57)28(30)17-19-32(39)43(36)20-12-8-11-15-37(44)45/h7,9-10,13-14,16-19,21-24H,6,8,11-12,15,20H2,1-5H3,(H4-,44,45,46,47,48,49,50,51,52,53,54,55,56,57)
InChIKey
LIZDKDDCWIEQIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
20
Fraction Csp3
0.32
Rotatable bonds
14
H-bond acceptors
11
H-bond donors
4
Molar refractivity
226.64
TPSA
263.86

LogP / Solubility

WLOGP
6.47
MLOGP
5.78
XLogP3
4.6
Consensus LogP
5.62
Log S (ESOL)
-8.92
Class (ESOL)
Insoluble
Log S (Ali)
-11.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.72

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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