CAS RN: 1324007-10-4
ALD-PEG4-PFP
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.20250314 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1324007-10-4
- Purity/Analytical Methods: >99.0%
1324007-10-4 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1324007-10-4
Multi CAS
No
Molecular Formula
C25H26F5NO8
Molecular Weight
563.500000
Exact Mass
563.157858
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C25H26F5NO8/c26-19-20(27)22(29)24(23(30)21(19)28)39-18(33)5-7-35-9-11-37-13-14-38-12-10-36-8-6-31-25(34)17-3-1-16(15-32)2-4-17/h1-4,15H,5-14H2,(H,31,34)
InChIKey
NHBPGMASABKYSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
18
H-bond acceptors
8
H-bond donors
1
Molar refractivity
123.92
TPSA
109.39
LogP / Solubility
WLOGP
2.99
MLOGP
2.67
XLogP3
2
Consensus LogP
2.55
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
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)
-4.04
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
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