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CAS 2055041-16-0 Bromoacetamido-PEG8-t-butyl ester molecular structure lightbox
CAS RN: 2055041-16-0

Bromoacetamido-PEG8-t-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250924 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055041-16-0
  • Purity/Analytical Methods: >99.0%
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2055041-16-0 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2055041-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055041-16-0
Multi CAS
No
Molecular Formula
C25H48BrNO11
Molecular Weight
618.600000
Exact Mass
617.241070
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CBr
InChI
InChI=1S/C25H48BrNO11/c1-25(2,3)38-24(29)4-6-30-8-10-32-12-14-34-16-18-36-20-21-37-19-17-35-15-13-33-11-9-31-7-5-27-23(28)22-26/h4-22H2,1-3H3,(H,27,28)
InChIKey
BPWCFBGOCYWQSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.92
Rotatable bonds
28
H-bond acceptors
11
H-bond donors
1
Molar refractivity
143.82
TPSA
129.24

LogP / Solubility

WLOGP
1.36
MLOGP
1.25
Consensus LogP
0.87
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.17
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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