CAS RN: 2107273-32-3
N-(m-PEG4)-N’-(PEG4-acid)-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.20260107 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-32-3
- Purity/Analytical Methods: >99.0%
2107273-32-3 / 3-[2-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid chloride
Basic Information
CAS
2107273-32-3
Multi CAS
No
Molecular Formula
C45H65ClN2O10
Molecular Weight
829.500000
Exact Mass
828.432774
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOCCC(=O)O)(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C45H64N2O10.ClH/c1-44(2)37-13-9-11-15-39(37)46(20-23-52-28-31-56-34-33-54-26-25-50-5)41(44)17-7-6-8-18-42-45(3,4)38-14-10-12-16-40(38)47(42)21-24-53-29-32-57-36-35-55-30-27-51-22-19-43(48)49;/h6-18H,19-36H2,1-5H3;1H
InChIKey
VGWYWHBAFATVCR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
30
H-bond acceptors
10
H-bond donors
1
Molar refractivity
222.3
TPSA
117.39
LogP / Solubility
WLOGP
3.1
MLOGP
2.8
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.22
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)
-5.58
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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