CAS RN: 449175-58-0
CYANINE 5 MONOFUNCTIONAL HEXANOIC ACID DYE, POTASSIUM SALT
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.20250711 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS449175-58-0
- Purity/Analytical Methods: >99.0%
449175-58-0 / potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
Basic Information
CAS
449175-58-0
Multi CAS
Yes
Molecular Formula
C33H39KN2O8S2
Molecular Weight
694.900000
Exact Mass
694.178490
InChI
InChI=1S/C33H40N2O8S2.K/c1-6-34-27-18-16-23(44(38,39)40)21-25(27)32(2,3)29(34)13-9-7-10-14-30-33(4,5)26-22-24(45(41,42)43)17-19-28(26)35(30)20-12-8-11-15-31(36)37;/h7,9-10,13-14,16-19,21-22H,6,8,11-12,15,20H2,1-5H3,(H2-,36,37,38,39,40,41,42,43);/q;+1/p-1
InChIKey
TXHLSXTWJSEINP-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
1
Molar refractivity
170.14
TPSA
157.95
LogP / Solubility
WLOGP
2.33
MLOGP
2.11
XLogP3
2.33
Consensus LogP
2.26
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
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
No
Log Kp (skin permeation)
-5.3
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
4.5
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