CAS RN: 2107273-56-1
N-methyl-N’-methyl-O-(m-PEG4)-O’-(azide-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.20250511 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-56-1
- Purity/Analytical Methods: >99.0%
2107273-56-1 / 2-[(1E,3E,5Z)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium chloride
Basic Information
CAS
2107273-56-1
Multi CAS
No
Molecular Formula
C46H68ClN5O10
Molecular Weight
886.500000
Exact Mass
885.465471
SMILES
CC1(C2=C(C=CC(=C2)OCCOCCOCCOCCOC)[N+](=C1/C=C/C=C/C=C\3/C(C4=C(N3C)C=CC(=C4)OCCOCCOCCOCCOCCN=[N+]=[N-])(C)C)C)C.[Cl-]
InChI
InChI=1S/C46H68N5O10.ClH/c1-45(2)39-35-37(60-33-31-58-29-27-56-24-23-54-20-19-52-7)13-15-41(39)50(5)43(45)11-9-8-10-12-44-46(3,4)40-36-38(14-16-42(40)51(44)6)61-34-32-59-30-28-57-26-25-55-22-21-53-18-17-48-49-47;/h8-16,35-36H,17-34H2,1-7H3;1H/q+1;/p-1
InChIKey
CKLDNAAAZOJWFY-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
32
H-bond acceptors
12
Molar refractivity
237.17
TPSA
147.31
LogP / Solubility
WLOGP
3.95
MLOGP
3.56
XLogP3
3.95
Consensus LogP
3.82
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.54
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
Yes
Log Kp (skin permeation)
-5.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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