CAS RN: 2107273-38-9
N-(m-PEG4)-N’-(azide-PEG4)-Cy3
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250821 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-38-9
- Purity/Analytical Methods: >99.0%
2107273-38-9 / (2E)-1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[(E)-3-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindole chloride
Basic Information
CAS
2107273-38-9
Multi CAS
No
Molecular Formula
C42H62ClN5O8
Molecular Weight
800.400000
Exact Mass
799.428692
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOCCN=[N+]=[N-])(C)C)CCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C42H62N5O8.ClH/c1-41(2)35-11-6-8-13-37(35)46(18-21-50-26-29-54-32-31-52-24-23-48-5)39(41)15-10-16-40-42(3,4)36-12-7-9-14-38(36)47(40)19-22-51-27-30-55-34-33-53-28-25-49-20-17-44-45-43;/h6-16H,17-34H2,1-5H3;1H/q+1;/p-1
InChIKey
YRFRBTOMOUXLRJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
29
H-bond acceptors
10
Molar refractivity
214.92
TPSA
128.85
LogP / Solubility
WLOGP
3.38
MLOGP
3.04
XLogP3
3.38
Consensus LogP
3.27
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.15
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)
-5.2
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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