CAS RN: 1027581-61-8
Tri(t-butoxycarbonylethoxymethyl) ethanol
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1027581-61-8
- Purity/Analytical Methods: >99.0%
1027581-61-8 / tert-butyl 3-[2-(hydroxymethyl)-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
Tri(t-butoxycarbonylethoxymethyl) ethanol | Tri(t-butoxycarbonylethoxymethyl)ethanol | tert-butyl 3-[2-(hydroxymethyl)-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
Basic Information
CAS
1027581-61-8
Multi CAS
No
Molecular Formula
C26H48O10
Molecular Weight
520.700000
Exact Mass
520.324748
SMILES
CC(C)(C)OC(=O)CCOCC(CO)(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C
InChI
InChI=1S/C26H48O10/c1-23(2,3)34-20(28)10-13-31-17-26(16-27,18-32-14-11-21(29)35-24(4,5)6)19-33-15-12-22(30)36-25(7,8)9/h27H,10-19H2,1-9H3
InChIKey
WVGDIZFVGPDHFP-UHFFFAOYSA-N
Synonyms
Tri(t-butoxycarbonylethoxymethyl) ethanol
Tri(t-butoxycarbonylethoxymethyl)ethanol
tert-butyl 3-[2-(hydroxymethyl)-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
orb1988859
SCHEMBL14343067
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
0.88
Rotatable bonds
16
H-bond acceptors
10
H-bond donors
1
Molar refractivity
133.36
TPSA
126.82
LogP / Solubility
WLOGP
3.21
MLOGP
2.86
XLogP3
1.6
Consensus LogP
2.56
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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