CAS RN: 2381196-81-0
Boc-C1-PEG3-C4-OBn
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.20250427 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2381196-81-0
- Purity/Analytical Methods: >99.0%
2381196-81-0 / tert-butyl 2-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]acetate
Basic Information
CAS
2381196-81-0
Multi CAS
No
Molecular Formula
C23H38O6
Molecular Weight
410.500000
Exact Mass
410.266839
SMILES
CC(C)(C)OC(=O)COCCOCCOCCCCCCOCC1=CC=CC=C1
InChI
InChI=1S/C23H38O6/c1-23(2,3)29-22(24)20-28-18-17-26-16-15-25-13-9-4-5-10-14-27-19-21-11-7-6-8-12-21/h6-8,11-12H,4-5,9-10,13-20H2,1-3H3
InChIKey
RBTVTEMDPRBJLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
17
H-bond acceptors
6
Molar refractivity
112.87
TPSA
63.22
LogP / Solubility
WLOGP
4.16
MLOGP
3.68
XLogP3
3.5
Consensus LogP
3.78
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27
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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