CAS RN: 1433996-83-8
Ald-Ph-PEG5-t-butyl 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.20260426 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1433996-83-8
- Purity/Analytical Methods: >99.0%
1433996-83-8 / tert-butyl 3-[2-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1433996-83-8
Multi CAS
No
Molecular Formula
C22H34O8
Molecular Weight
426.500000
Exact Mass
426.225368
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C22H34O8/c1-22(2,3)30-21(24)8-9-25-10-11-26-12-13-27-14-15-28-16-17-29-20-6-4-19(18-23)5-7-20/h4-7,18H,8-17H2,1-3H3
InChIKey
QVWIJQYADDDNJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
17
H-bond acceptors
8
Molar refractivity
111.06
TPSA
89.52
LogP / Solubility
WLOGP
2.68
MLOGP
2.38
XLogP3
1.6
Consensus LogP
2.22
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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