CAS RN: 2100306-48-5
Ald-PEG1-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.20250911 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2100306-48-5
- Purity/Analytical Methods: >99.0%
2100306-48-5 / tert-butyl 3-(3-oxopropoxy)propanoate
Basic Information
CAS
2100306-48-5
Multi CAS
No
Molecular Formula
C10H18O4
Molecular Weight
202.250000
Exact Mass
202.120509
SMILES
CC(C)(C)OC(=O)CCOCCC=O
InChI
InChI=1S/C10H18O4/c1-10(2,3)14-9(12)5-8-13-7-4-6-11/h6H,4-5,7-8H2,1-3H3
InChIKey
CZRHXJWSZPQZQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
51.96
TPSA
52.6
LogP / Solubility
WLOGP
1.32
MLOGP
1.17
XLogP3
0.3
Consensus LogP
0.93
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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