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CAS 252378-67-9 Boc-Aminooxy-PEG2-bromide molecular structure lightbox
CAS RN: 252378-67-9

Boc-Aminooxy-PEG2-bromide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS252378-67-9
  • Purity/Analytical Methods: >99.0%
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252378-67-9 / tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]carbamate

Standard CAS: 252378-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252378-67-9
Multi CAS
No
Molecular Formula
C11H22BrNO5
Molecular Weight
328.200000
Exact Mass
327.068140
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCBr
InChI
InChI=1S/C11H22BrNO5/c1-11(2,3)18-10(14)13-17-9-8-16-7-6-15-5-4-12/h4-9H2,1-3H3,(H,13,14)
InChIKey
LDLMDHDPMSCEPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.75
TPSA
66.02

LogP / Solubility

WLOGP
1.87
MLOGP
1.66
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

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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