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CAS 960324-86-1 6-methanesulfonamidopyridine-3-carboxylic Acid molecular structure lightbox
CAS RN: 960324-86-1

6-methanesulfonamidopyridine-3-carboxylic Acid

  • Product code: SSC-211859
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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 960324-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

960324-86-1 / 6-(methanesulfonamido)pyridine-3-carboxylic acid

Standard CAS: 960324-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
960324-86-1
Multi CAS
No
Molecular Formula
C7H8N2O4S
Molecular Weight
216.220000
Exact Mass
216.020478
InChI
InChI=1S/C7H8N2O4S/c1-14(12,13)9-6-3-2-5(4-8-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)
InChIKey
NCLLBFUFTPPKAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.66
TPSA
96.36

LogP / Solubility

WLOGP
0.15
MLOGP
0.14
XLogP3
-0.3
Consensus LogP
0.0000
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-3.93

Drug-likeness / Medicinal Chemistry

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

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