CAS RN: 1818294-49-3
Azido-PEG8-TFP ester
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.20250525 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1818294-49-3
- Purity/Analytical Methods: >99.0%
1818294-49-3 / (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1818294-49-3
Multi CAS
No
Molecular Formula
C25H37F4N3O10
Molecular Weight
615.600000
Exact Mass
615.241507
SMILES
C1=C(C(=C(C(=C1F)F)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])F)F
InChI
InChI=1S/C25H37F4N3O10/c26-20-19-21(27)24(29)25(23(20)28)42-22(33)1-3-34-5-7-36-9-11-38-13-15-40-17-18-41-16-14-39-12-10-37-8-6-35-4-2-31-32-30/h19H,1-18H2
InChIKey
ICPUCGMOWKDMAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
28
H-bond acceptors
11
Molar refractivity
137.09
TPSA
148.9
LogP / Solubility
WLOGP
2.98
MLOGP
2.67
XLogP3
1.7
Consensus LogP
2.45
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.36
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
4
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![CAS 1818339-66-0 N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1818339-66-0.gif)
