CAS RN: 2107273-42-5
N-(Azide-PEG3)-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.20250730 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-42-5
- Purity/Analytical Methods: >99.0%
2107273-42-5 / 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid chloride
Basic Information
CAS
2107273-42-5
Multi CAS
No
Molecular Formula
C44H62ClN5O9
Molecular Weight
840.400000
Exact Mass
839.423606
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCN=[N+]=[N-])(C)C)CCOCCOCCOCCOCCC(=O)O)C.[Cl-]
InChI
InChI=1S/C44H61N5O9.ClH/c1-43(2)36-12-8-10-14-38(36)48(20-24-54-28-32-57-31-27-53-23-19-46-47-45)40(43)16-6-5-7-17-41-44(3,4)37-13-9-11-15-39(37)49(41)21-25-55-29-33-58-35-34-56-30-26-52-22-18-42(50)51;/h5-17H,18-35H2,1-4H3;1H
InChIKey
UKACGQMFZSBZHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
30
H-bond acceptors
10
H-bond donors
1
Molar refractivity
224.44
TPSA
156.92
LogP / Solubility
WLOGP
3.76
MLOGP
3.39
XLogP3
3.76
Consensus LogP
3.64
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.85
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)
-5.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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