CAS RN: 1424150-38-8
Sulfo Cyanine3 NHS ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1424150-38-8
- Purity/Analytical Methods: >99.0%
1424150-38-8 / potassium 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[3-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]indole-5-sulfonate
Basic Information
CAS
1424150-38-8
Multi CAS
No
Molecular Formula
C34H38KN3O10S2
Molecular Weight
751.900000
Exact Mass
751.163568
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)ON5C(=O)CCC5=O)C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+]
InChI
InChI=1S/C34H39N3O10S2.K/c1-33(2)24-20-22(48(41,42)43)13-15-26(24)35(5)28(33)10-9-11-29-34(3,4)25-21-23(49(44,45)46)14-16-27(25)36(29)19-8-6-7-12-32(40)47-37-30(38)17-18-31(37)39;/h9-11,13-16,20-21H,6-8,12,17-19H2,1-5H3,(H-,41,42,43,44,45,46);/q;+1/p-1
InChIKey
ZNWGQSGULWNMHO-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
11
H-bond acceptors
11
Molar refractivity
175.93
TPSA
184.33
LogP / Solubility
WLOGP
0.91
MLOGP
0.87
XLogP3
0.91
Consensus LogP
0.9
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
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)
-6.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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