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CAS 1835759-82-4 Boc-Aminooxy-PEG3-acid molecular structure lightbox
CAS RN: 1835759-82-4

Boc-Aminooxy-PEG3-acid

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Batchno.20260119 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1835759-82-4
  • Purity/Analytical Methods: >99.0%
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1835759-82-4 / 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1835759-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1835759-82-4
Multi CAS
No
Molecular Formula
C14H27NO8
Molecular Weight
337.370000
Exact Mass
337.173667
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C14H27NO8/c1-14(2,3)23-13(18)15-22-11-10-21-9-8-20-7-6-19-5-4-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
FRMJMYYWQYLTQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.86
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
2
Molar refractivity
80.03
TPSA
112.55

LogP / Solubility

WLOGP
0.97
MLOGP
0.87
Consensus LogP
0.61
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-4.09

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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