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CAS 22580-55-8 PYRROLIDONE HYDROTRIBROMIDE molecular structure lightbox
CAS RN: 22580-55-8

PYRROLIDONE HYDROTRIBROMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250627 5g / 25g / 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-110370
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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: 100g
  • Available purity: ≥97%
  • 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 22580-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

22580-55-8 / pyrrolidin-2-one

Standard CAS: 22580-55-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22580-55-8
Multi CAS
No
Molecular Formula
C4H7NO
Molecular Weight
85.100000
Exact Mass
85.052764
SMILES
C1CC(=O)NC1
InChI
InChI=1S/C4H7NO.Br3/c6-4-2-1-3-5-4;1-3-2/h1-3H2,(H,5,6);/q;-1
InChIKey
OTYIQJFSTDUAJR-UHFFFAOYSA-N

Physical Properties

Melting Point
25.0 °C 23 °C 25 °C
Boiling Point
245 °C @ 760 mm Hg; 113-114 @ 9.2 mm Hg; 76 °C @ 0.2 mm Hg 245 °C
Density
1.116 @ 25 °C Relative density (water = 1): 1.1
Physical Description
Liquid Light-yellow liquid; [Hawley] Colorless liquid; mp = 23-25 deg C; Solid LIGHT YELLOW LIQUID.
Appearance
CRYSTALS FROM COLD PETROLEUM ETHER Light yellow liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.24
TPSA
29.1

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.1
XLogP3
-0.8
Consensus LogP
-0.33
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very 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)
-3.31

Drug-likeness / Medicinal Chemistry

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

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