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CAS 90892-09-4 1-(Bromoacetyl)pyrrolidine molecular structure lightbox
CAS RN: 90892-09-4

1-(Bromoacetyl)pyrrolidine

  • Product code: SSC-203591
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 90892-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

90892-09-4 / 2-bromo-1-pyrrolidin-1-ylethanone

Standard CAS: 90892-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90892-09-4
Multi CAS
No
Molecular Formula
BC6H10ORn
Molecular Weight
192.050000
Exact Mass
190.994580
InChI
InChI=1S/C6H10BrNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2
InChIKey
SPHXSIXITGVYAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.61
TPSA
20.31

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.18

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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