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CAS 477908-53-5 Cy3 NHS Ester molecular structure lightbox
CAS RN: 477908-53-5

Cy3 NHS Ester

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260201 100mg In stock Shanghai Inquiry
Batchno.20260618 10mg In stock Shanghai Inquiry
Batchno.20260116 250mg In stock Shanghai Inquiry
Batchno.20250707 25mg In stock Shanghai Inquiry
Batchno.20250209 50mg In stock Shanghai Inquiry
Batchno.20260108 5mg In stock Shanghai Inquiry
  • Product code: SSC-154735
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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 477908-53-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

477908-53-5 / (2Z)-2-[(2E,4E,6E)-7-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate

Standard CAS: 477908-53-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
477908-53-5
Multi CAS
Yes
Molecular Formula
C39H45N3O10S2
Molecular Weight
779.900000
Exact Mass
779.254637
InChI
InChI=1S/C39H45N3O10S2/c1-6-40-31-20-18-27(53(46,47)48)25-29(31)38(2,3)33(40)15-11-8-7-9-12-16-34-39(4,5)30-26-28(54(49,50)51)19-21-32(30)41(34)24-14-10-13-17-37(45)52-42-35(43)22-23-36(42)44/h7-9,11-12,15-16,18-21,25-26H,6,10,13-14,17,22-24H2,1-5H3,(H-,46,47,48,49,50,51)
InChIKey
ROGODJHHEBREAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
1
Molar refractivity
200.68
TPSA
181.5

LogP / Solubility

WLOGP
5.75
MLOGP
5.13
XLogP3
4.7
Consensus LogP
5.19
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-10.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.39

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

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