CAS RN: 1817735-40-2
t-Butoxycarbonyl-PEG2-sulfonic acid
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.20250826 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1817735-40-2
- Purity/Analytical Methods: >99.0%
1817735-40-2 / 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethanesulfonic acid
Basic Information
CAS
1817735-40-2
Multi CAS
No
Molecular Formula
C11H22O7S
Molecular Weight
298.360000
Exact Mass
298.108624
SMILES
CC(C)(C)OC(=O)CCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C11H22O7S/c1-11(2,3)18-10(12)4-5-16-6-7-17-8-9-19(13,14)15/h4-9H2,1-3H3,(H,13,14,15)
InChIKey
HBIDYLRBESNRPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
68.52
TPSA
99.13
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
XLogP3
-0.4
Consensus LogP
0.27
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-4.09
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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