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CAS 1817735-28-6 t-Butoxycarbonyl-PEG5-sulfonic acid molecular structure lightbox
CAS RN: 1817735-28-6

t-Butoxycarbonyl-PEG5-sulfonic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1817735-28-6
  • Purity/Analytical Methods: >99.0%
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1817735-28-6 / 2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid

Standard CAS: 1817735-28-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1817735-28-6
Multi CAS
No
Molecular Formula
C17H34O10S
Molecular Weight
430.500000
Exact Mass
430.187268
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C17H34O10S/c1-17(2,3)27-16(18)4-5-22-6-7-23-8-9-24-10-11-25-12-13-26-14-15-28(19,20)21/h4-15H2,1-3H3,(H,19,20,21)
InChIKey
PJMKLAIQHSRPRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.94
Rotatable bonds
18
H-bond acceptors
9
H-bond donors
1
Molar refractivity
100.97
TPSA
126.82

LogP / Solubility

WLOGP
0.69
MLOGP
0.63
XLogP3
-0.8
Consensus LogP
0.17
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.19
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)
-4.86

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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