CAS RN: 2107273-20-9
N-(m-PEG4)-N’-hydroxypropyl-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.20251028 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2107273-20-9
- Purity/Analytical Methods: >99.0%
2107273-20-9 / 3-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]propan-1-ol chloride
Basic Information
CAS
2107273-20-9
Multi CAS
No
Molecular Formula
C37H51ClN2O5
Molecular Weight
639.300000
Exact Mass
638.348650
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3CCOCCOCCOCCOC)(C)C)CCCO)C.[Cl-]
InChI
InChI=1S/C37H51N2O5.ClH/c1-36(2)30-14-9-11-16-32(30)38(20-13-22-40)34(36)18-7-6-8-19-35-37(3,4)31-15-10-12-17-33(31)39(35)21-23-42-26-27-44-29-28-43-25-24-41-5;/h6-12,14-19,40H,13,20-29H2,1-5H3;1H/q+1;/p-1
InChIKey
FKGCBDKCXSNHNK-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.49
Rotatable bonds
18
H-bond acceptors
6
H-bond donors
1
Molar refractivity
178.48
TPSA
63.4
LogP / Solubility
WLOGP
2.94
MLOGP
2.64
XLogP3
2.94
Consensus LogP
2.84
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.53
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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