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CAS 889954-95-4 PYRIDIN-2-YL-METHANESULFONAMIDE molecular structure lightbox
CAS RN: 889954-95-4

PYRIDIN-2-YL-METHANESULFONAMIDE

  • Product code: SSC-200769
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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 889954-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

889954-95-4 / pyridin-2-ylmethanesulfonamide

Standard CAS: 889954-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889954-95-4
Multi CAS
No
Molecular Formula
C6H8N2O2S
Molecular Weight
172.210000
Exact Mass
172.030649
InChI
InChI=1S/C6H8N2O2S/c7-11(9,10)5-6-3-1-2-4-8-6/h1-4H,5H2,(H2,7,9,10)
InChIKey
YNRCVVBNEPJYOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.05
TPSA
73.05

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.12
XLogP3
-0.6
Consensus LogP
-0.28
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-3.86

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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