CAS RN: 2107273-40-3
N-(m-PEG4)-N’-(azide-PEG4)-Cy7
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.20251227 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-40-3
- Purity/Analytical Methods: >99.0%
2107273-40-3 / (2Z)-1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[(2E,4E,6E)-7-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindole chloride
Basic Information
CAS
2107273-40-3
Multi CAS
No
Molecular Formula
C46H66ClN5O8
Molecular Weight
852.500000
Exact Mass
851.459992
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCOCCN=[N+]=[N-])(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C46H66N5O8.ClH/c1-45(2)39-15-11-13-17-41(39)50(22-25-54-30-33-58-36-35-56-28-27-52-5)43(45)19-9-7-6-8-10-20-44-46(3,4)40-16-12-14-18-42(40)51(44)23-26-55-31-34-59-38-37-57-32-29-53-24-21-48-49-47;/h6-20H,21-38H2,1-5H3;1H/q+1;/p-1
InChIKey
ISHBUBOOHQEWKB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
31
H-bond acceptors
10
Molar refractivity
233.2
TPSA
128.85
LogP / Solubility
WLOGP
4.49
MLOGP
4.03
XLogP3
4.49
Consensus LogP
4.34
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-9.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.65
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)
-4.73
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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