CAS RN: 2107273-02-7
N-(m-PEG4)-N’-(azide-PEG3)-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.20250925 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-02-7
- Purity/Analytical Methods: >99.0%
2107273-02-7 / (2E)-1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-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-dimethylindole chloride
Basic Information
CAS
2107273-02-7
Multi CAS
No
Molecular Formula
C42H60ClN5O7
Molecular Weight
782.400000
Exact Mass
781.418127
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCN=[N+]=[N-])(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C42H60N5O7.ClH/c1-41(2)35-13-9-11-15-37(35)46(20-23-50-28-31-53-30-27-49-22-19-44-45-43)39(41)17-7-6-8-18-40-42(3,4)36-14-10-12-16-38(36)47(40)21-24-51-29-32-54-34-33-52-26-25-48-5;/h6-18H,19-34H2,1-5H3;1H/q+1;/p-1
InChIKey
PVVXUYTUWFXSAS-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
27
H-bond acceptors
9
Molar refractivity
213.24
TPSA
119.62
LogP / Solubility
WLOGP
3.92
MLOGP
3.52
XLogP3
3.92
Consensus LogP
3.79
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.24
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)
-4.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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