CAS RN: 2107273-28-7
N-(m-PEG4)-N’-(PEG2-NHS ester)-Cy5
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 1mg / 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-28-7
- Purity/Analytical Methods: >99.0%
2107273-28-7 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(2E)-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-dimethylindol-1-yl]ethoxy]ethoxy]propanoate chloride
Basic Information
CAS
2107273-28-7
Multi CAS
No
Molecular Formula
C45H60ClN3O10
Molecular Weight
838.400000
Exact Mass
837.396723
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCC(=O)ON5C(=O)CCC5=O)(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C45H60N3O10.ClH/c1-44(2)35-13-9-11-15-37(35)46(22-25-54-30-29-53-24-21-43(51)58-48-41(49)19-20-42(48)50)39(44)17-7-6-8-18-40-45(3,4)36-14-10-12-16-38(36)47(40)23-26-55-31-32-57-34-33-56-28-27-52-5;/h6-18H,19-34H2,1-5H3;1H/q+1;/p-1
InChIKey
QBKOBGOQDYZADQ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
12
Fraction Csp3
0.51
Rotatable bonds
25
H-bond acceptors
11
Molar refractivity
220.21
TPSA
125.31
LogP / Solubility
WLOGP
2.59
MLOGP
2.35
XLogP3
2.59
Consensus LogP
2.51
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.26
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)
-6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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