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CAS 62936-56-5 Pikamilone sodium salt molecular structure lightbox
CAS RN: 62936-56-5

Pikamilone sodium salt

  • Product code: SSC-172377
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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 62936-56-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

62936-56-5 / sodium 4-(pyridine-3-carbonylamino)butanoate

Standard CAS: 62936-56-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62936-56-5
Multi CAS
Yes
Molecular Formula
C10H11N2NAO3
Molecular Weight
230.200000
Exact Mass
230.066737
InChI
InChI=1S/C10H12N2O3.Na/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8;/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14);/q;+1/p-1
InChIKey
DGWZSECHAXUHPD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.81
TPSA
82.12

LogP / Solubility

WLOGP
-3.65
MLOGP
-3.21
XLogP3
-3.65
Consensus LogP
-3.5
Log S (ESOL)
1.09
Class (ESOL)
Highly soluble
Log S (Ali)
1.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.28
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.72

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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