CAS RN: 2107273-08-3
N,N’-bis-(propargyl-PEG4)-Cy5
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.20260407 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2107273-08-3
- Purity/Analytical Methods: >99.0%
2107273-08-3 / (2Z)-2-[(2E,4E)-5-[3,3-dimethyl-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]indole chloride
Basic Information
CAS
2107273-08-3
Multi CAS
No
Molecular Formula
C47H63ClN2O8
Molecular Weight
819.500000
Exact Mass
818.427295
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCOCC#C)(C)C)CCOCCOCCOCCOCC#C)C.[Cl-]
InChI
InChI=1S/C47H63N2O8.ClH/c1-7-24-50-28-32-54-36-38-56-34-30-52-26-22-48-42-18-14-12-16-40(42)46(3,4)44(48)20-10-9-11-21-45-47(5,6)41-17-13-15-19-43(41)49(45)23-27-53-31-35-57-39-37-55-33-29-51-25-8-2;/h1-2,9-21H,22-39H2,3-6H3;1H/q+1;/p-1
InChIKey
FJFLIVHAHJSGKV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
12
Fraction Csp3
0.51
Rotatable bonds
29
H-bond acceptors
9
Molar refractivity
226.66
TPSA
80.09
LogP / Solubility
WLOGP
3.26
MLOGP
2.94
XLogP3
3.26
Consensus LogP
3.15
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-5.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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