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CAS 2230212-27-6 Sulfo-Cy5 NHS Methyl type | Lumiprobe type molecular structure lightbox
CAS RN: 2230212-27-6

Sulfo-Cy5 NHS Methyl type | Lumiprobe type

  • Product code: SSC-108597
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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: 0.1g
  • 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 2230212-27-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

2230212-27-6 / sodium 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate

Standard CAS: 2230212-27-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2230212-27-6
Multi CAS
No
Molecular Formula
C36H40N3NaO10S2
Molecular Weight
761.800000
Exact Mass
761.205281
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[Na+]
InChI
InChI=1S/C36H41N3O10S2.Na/c1-35(2)26-22-24(50(43,44)45)15-17-28(26)37(5)30(35)12-8-6-9-13-31-36(3,4)27-23-25(51(46,47)48)16-18-29(27)38(31)21-11-7-10-14-34(42)49-39-32(40)19-20-33(39)41;/h6,8-9,12-13,15-18,22-23H,7,10-11,14,19-21H2,1-5H3,(H-,43,44,45,46,47,48);/q;+1/p-1
InChIKey
JYLBFAAZKFROET-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
12
H-bond acceptors
11
Molar refractivity
185.07
TPSA
184.33

LogP / Solubility

WLOGP
1.47
MLOGP
1.36
XLogP3
1.47
Consensus LogP
1.43
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.33

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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