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CAS 5891-21-4 5-Chloro-2-pentanone (stabilized with K2CO3) molecular structure lightbox
CAS RN: 5891-21-4

5-Chloro-2-pentanone (stabilized with K2CO3)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-167278
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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: 5g, 10g, 25g, 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 5891-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

5891-21-4 / 5-chloropentan-2-one

Standard CAS: 5891-21-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5891-21-4
Multi CAS
Yes
Molecular Formula
C5H9CLO
Molecular Weight
120.580000
Exact Mass
120.034193
InChI
InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey
XVRIEWDDMODMGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
30.63
TPSA
17.07

LogP / Solubility

WLOGP
1.59
MLOGP
1.39
XLogP3
0.8
Consensus LogP
1.26
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.32

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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