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CAS 885267-00-5 N-Bromoacetylazetidine molecular structure lightbox
CAS RN: 885267-00-5

N-Bromoacetylazetidine

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260625 100mg In stock Shanghai Inquiry
Batchno.20260427 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250215 1g Out of stock Inquiry
Batchno.20250130 250mg Out of stock Inquiry
  • Product code: starshine_CAS885267-00-5
  • Purity/Analytical Methods: >99.0%
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885267-00-5 / 1-(azetidin-1-yl)-2-bromoethanone

Standard CAS: 885267-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885267-00-5
Multi CAS
No
Molecular Formula
BC5H8ORn
Molecular Weight
178.030000
Exact Mass
176.978930
InChI
InChI=1S/C5H8BrNO/c6-4-5(8)7-2-1-3-7/h1-4H2
InChIKey
BWFNEFMRNYTXQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
34.99
TPSA
20.31

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.6
Consensus LogP
0.58
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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