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CAS 2242791-82-6 Sulfo Cy5 Maleimide molecular structure lightbox
CAS RN: 2242791-82-6

Sulfo Cy5 Maleimide

  • Product code: SSC-109360
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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 2242791-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Hong Kong Inquiry

2242791-82-6 / potassium (2E)-1-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate

Standard CAS: 2242791-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2242791-82-6
Multi CAS
No
Molecular Formula
C38H43KN4O9S2
Molecular Weight
803.000000
Exact Mass
802.210853
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCCN5C(=O)C=CC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
InChI
InChI=1S/C38H44N4O9S2.K/c1-37(2)28-24-26(52(46,47)48)15-17-30(28)40(5)32(37)12-8-6-9-13-33-38(3,4)29-25-27(53(49,50)51)16-18-31(29)41(33)22-11-7-10-14-34(43)39-21-23-42-35(44)19-20-36(42)45;/h6,8-9,12-13,15-20,24-25H,7,10-11,14,21-23H2,1-5H3,(H2-,39,43,46,47,48,49,50,51);/q;+1/p-1
InChIKey
KKALABHIZQXGRJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
1
Molar refractivity
196.76
TPSA
187.13

LogP / Solubility

WLOGP
0.9
MLOGP
0.86
XLogP3
0.9
Consensus LogP
0.89
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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