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CAS 1027511-95-0 1-(6-BroMo-pyridin-2-yl)-pyrrolidin-2-one molecular structure lightbox
CAS RN: 1027511-95-0

1-(6-BroMo-pyridin-2-yl)-pyrrolidin-2-one

  • Product code: SSC-004082
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1027511-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1027511-95-0 / 1-(6-bromo-2-pyridinyl)pyrrolidin-2-one

1-(6-BROMOPYRIDIN-2-YL)PYRROLIDIN-2-ONE | 2-BROMO-6-(PYRROLIDINON-1-YL)PYRIDINE | 1-(6-Bromo-2-pyridinyl)-2-pyrrolidinone

Standard CAS: 1027511-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1027511-95-0
Multi CAS
No
Molecular Formula
C9H9BrN2O
Molecular Weight
241.080000
Exact Mass
239.989830
SMILES
C1CC(=O)N(C1)C2=NC(=CC=C2)Br
InChI
InChI=1S/C9H9BrN2O/c10-7-3-1-4-8(11-7)12-6-2-5-9(12)13/h1,3-4H,2,5-6H2
InChIKey
LLAAHULUUFXMDX-UHFFFAOYSA-N
Synonyms
1-(6-BROMOPYRIDIN-2-YL)PYRROLIDIN-2-ONE 2-BROMO-6-(PYRROLIDINON-1-YL)PYRIDINE 1-(6-Bromo-2-pyridinyl)-2-pyrrolidinone MFCD10688553 SCHEMBL19994372

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.52
TPSA
33.2

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.79

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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