CAS RN: 1807537-40-1
Hydroxy-PEG3-PFP 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.20260311 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1807537-40-1
- Purity/Analytical Methods: >99.0%
1807537-40-1 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
Basic Information
CAS
1807537-40-1
Multi CAS
No
Molecular Formula
C15H17F5O6
Molecular Weight
388.280000
Exact Mass
388.094529
SMILES
C(COCCOCCOCCO)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C15H17F5O6/c16-10-11(17)13(19)15(14(20)12(10)18)26-9(22)1-3-23-5-7-25-8-6-24-4-2-21/h21H,1-8H2
InChIKey
MDIKFXKPNIRFLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
76.03
TPSA
74.22
LogP / Solubility
WLOGP
1.72
MLOGP
1.54
XLogP3
1
Consensus LogP
1.42
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
