CAS RN: 2107273-10-7
N-(m-PEG9)-N’-(propargyl-PEG8)-Cy5
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250603 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2107273-10-7
- Purity/Analytical Methods: >99.0%
2107273-10-7 / 2-[(1E,3E,5Z)-5-[3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]indol-2-ylidene]penta-1,3-dienyl]-1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-1-ium chloride
Basic Information
CAS
2107273-10-7
Multi CAS
No
Molecular Formula
C63H99ClN2O17
Molecular Weight
1191.900000
Exact Mass
1190.663227
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCOCCOCCOCCOCCOCC#C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOC)C.[Cl-]
InChI
InChI=1S/C63H99N2O17.ClH/c1-7-23-67-28-31-71-36-39-75-44-47-79-52-53-80-48-45-76-40-37-72-32-29-68-24-21-64-58-17-13-11-15-56(58)62(2,3)60(64)19-9-8-10-20-61-63(4,5)57-16-12-14-18-59(57)65(61)22-25-69-30-33-73-38-41-77-46-49-81-54-55-82-51-50-78-43-42-74-35-34-70-27-26-66-6;/h1,8-20H,21-55H2,2-6H3;1H/q+1;/p-1
InChIKey
VABDRXYBYVPCHX-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
83
Aromatic heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
55
H-bond acceptors
18
Molar refractivity
316.25
TPSA
163.16
LogP / Solubility
WLOGP
3.41
MLOGP
3.12
XLogP3
3.41
Consensus LogP
3.31
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-11.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.83
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)
-7.57
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
N-(m-PEG4)-N’-hydroxypropyl-Cy5
- CAS RN: 2107273-20-9
- Product Code: starshine_CAS2107273-20-9
- Purity/Analytical method: >99.0%
-
N-methyl-N’-(hydroxy-PEG2)-Cy5
- CAS RN: 2107273-22-1
- Product Code: starshine_CAS2107273-22-1
- Purity/Analytical method: >99.0%
-
N-(m-PEG9)-N’-(PEG5-acid)-Cy5
- CAS RN: 2107273-26-5
- Product Code: starshine_CAS2107273-26-5
- Purity/Analytical method: >99.0%
-
N-(m-PEG4)-N’-(PEG2-NHS ester)-Cy5
- CAS RN: 2107273-28-7
- Product Code: starshine_CAS2107273-28-7
- Purity/Analytical method: >99.0%
-
N-(m-PEG4)-N’-(PEG4-acid)-Cy5
- CAS RN: 2107273-32-3
- Product Code: starshine_CAS2107273-32-3
- Purity/Analytical method: >99.0%
-
N-(m-PEG4)-N’-(azide-PEG4)-Cy3
- CAS RN: 2107273-38-9
- Product Code: starshine_CAS2107273-38-9
- Purity/Analytical method: >99.0%
