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CAS 6602-56-8 2-CHLOROPYRIDINE-3-SULFONIC ACID molecular structure lightbox
CAS RN: 6602-56-8

2-CHLOROPYRIDINE-3-SULFONIC ACID

  • Product code: SSC-175653
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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: 1g
  • 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 6602-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6602-56-8 / 2-chloropyridine-3-sulfonic acid

Standard CAS: 6602-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6602-56-8
Multi CAS
No
Molecular Formula
C5H4CLNO3S
Molecular Weight
193.610000
Exact Mass
192.960042
InChI
InChI=1S/C5H4ClNO3S/c6-5-4(11(8,9)10)2-1-3-7-5/h1-3H,(H,8,9,10)
InChIKey
VBJDRRWFZIWJOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.06
TPSA
67.26

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-3.2

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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