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CAS 957011-64-2 1-(PIPERIDIN-4-YLCARBONYL)PIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 957011-64-2

1-(PIPERIDIN-4-YLCARBONYL)PIPERIDINE HYDROCHLORIDE

  • Product code: SSC-211265
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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: 0.25g
  • 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 957011-64-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

957011-64-2 / 2-chloro-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

Standard CAS: 957011-64-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
957011-64-2
Multi CAS
Yes
Molecular Formula
C13H14CLN3O4
Molecular Weight
311.720000
Exact Mass
311.067284
InChI
InChI=1S/C13H14ClN3O4/c1-13(8-3-5-9(21-2)6-4-8)11(19)17(12(20)15-13)16-10(18)7-14/h3-6H,7H2,1-2H3,(H,15,20)(H,16,18)
InChIKey
DYBOUCWZPBKPIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
74.59
TPSA
87.74

LogP / Solubility

WLOGP
0.73
MLOGP
0.66
XLogP3
1.1
Consensus LogP
0.83
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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