CAS RN: 2107273-06-1
N-PEG3-N’-(propargyl-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.20250619 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-06-1
- Purity/Analytical Methods: >99.0%
2107273-06-1 / 2-[2-[2-[2-[(1E,3E,5Z)-5-[3,3-dimethyl-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethanol chloride
Basic Information
CAS
2107273-06-1
Multi CAS
No
Molecular Formula
C42H57ClN2O7
Molecular Weight
737.400000
Exact Mass
736.385430
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCOCC#C)(C)C)CCOCCOCCO)C.[Cl-]
InChI
InChI=1S/C42H57N2O7.ClH/c1-6-23-46-27-31-50-33-34-51-32-29-48-25-21-44-38-17-13-11-15-36(38)42(4,5)40(44)19-9-7-8-18-39-41(2,3)35-14-10-12-16-37(35)43(39)20-24-47-28-30-49-26-22-45;/h1,7-19,45H,20-34H2,2-5H3;1H/q+1;/p-1
InChIKey
MXPPWWDNHJQAKX-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
24
H-bond acceptors
8
H-bond donors
1
Molar refractivity
203.27
TPSA
81.86
LogP / Solubility
WLOGP
2.59
MLOGP
2.34
XLogP3
2.59
Consensus LogP
2.51
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.48
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)
-5.38
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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