CAS RN: 2107273-74-3
N-(azide-PEG3)-N’-(Mal-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.20251002 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-74-3
- Purity/Analytical Methods: >99.0%
2107273-74-3 / 3-[2-[2-[2-[2-[2-[(1E,3E,5Z)-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]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide chloride
Basic Information
CAS
2107273-74-3
Multi CAS
No
Molecular Formula
C50H68ClN7O10
Molecular Weight
962.600000
Exact Mass
961.471619
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)NCCN5C(=O)C=CC5=O)C.[Cl-]
InChI
InChI=1S/C50H67N7O10.ClH/c1-49(2)40-12-8-10-14-42(40)55(24-28-63-32-36-66-35-31-62-27-22-53-54-51)44(49)16-6-5-7-17-45-50(3,4)41-13-9-11-15-43(41)56(45)25-29-64-33-37-67-39-38-65-34-30-61-26-20-46(58)52-21-23-57-47(59)18-19-48(57)60;/h5-19H,20-39H2,1-4H3;1H
InChIKey
NDCGRXBFWCAIGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
33
H-bond acceptors
12
H-bond donors
1
Molar refractivity
255.67
TPSA
186.1
LogP / Solubility
WLOGP
2.72
MLOGP
2.48
XLogP3
2.72
Consensus LogP
2.64
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.13
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)
-6.66
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
5
Customers Also Viewed
-
N-(m-PEG4)-N’-(DBCO-PEG4)-Cy5
- CAS RN: 2107273-76-5
- Product Code: starshine_CAS2107273-76-5
- Purity/Analytical method: >99.0%
-
N-(m-PEG4)-N’-(Biotin-PEG2-Amido-PEG4)-Cy5
- CAS RN: 2107273-78-7
- Product Code: starshine_CAS2107273-78-7
- Purity/Analytical method: >99.0%
-
N-(m-PEG4)-N’-(Acid-PEG3)-benzothiazole Cy5
- CAS RN: 2107273-80-1
- Product Code: starshine_CAS2107273-80-1
- Purity/Analytical method: >99.0%
-
N-(azide-PEG3)-N’-(m-PEG4)-Benzothiazole Cy5
- CAS RN: 2107273-88-9
- Product Code: starshine_CAS2107273-88-9
- Purity/Analytical method: >99.0%
-
-
1H-Indole-3-carboxylic acid, 7-hydroxy-1,2-dimethyl-, ethyl ester
- CAS RN: 2107765-51-3
- Product Code: starshine_CAS2107765-51-3
- Purity/Analytical method: >99.0%
