CAS RN: 2100306-74-7
Methoxycarbonyl-peg4-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.20260401 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2100306-74-7
- Purity/Analytical Methods: >99.0%
2100306-74-7 / methyl 3-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2100306-74-7
Multi CAS
No
Molecular Formula
C17H32O8
Molecular Weight
364.400000
Exact Mass
364.209718
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)OC
InChI
InChI=1S/C17H32O8/c1-17(2,3)25-16(19)6-8-22-10-12-24-14-13-23-11-9-21-7-5-15(18)20-4/h5-14H2,1-4H3
InChIKey
ZTPUSINUVRMSKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.88
Rotatable bonds
15
H-bond acceptors
8
Molar refractivity
90.37
TPSA
89.52
LogP / Solubility
WLOGP
1.35
MLOGP
1.21
XLogP3
0.3
Consensus LogP
0.95
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.99
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
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