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CAS 145099-44-1 2-Pyridinesulfonamide,3-hydroxy-(9CI) molecular structure lightbox
CAS RN: 145099-44-1

2-Pyridinesulfonamide,3-hydroxy-(9CI)

  • Product code: SSC-056469
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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: ＞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 145099-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

145099-44-1 / 3-hydroxypyridine-2-sulfonamide

Standard CAS: 145099-44-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
145099-44-1
Multi CAS
No
Molecular Formula
C5H6N2O3S
Molecular Weight
174.180000
Exact Mass
174.009913
SMILES
C1=CC(=C(N=C1)S(=O)(=O)N)O
InChI
InChI=1S/C5H6N2O3S/c6-11(9,10)5-4(8)2-1-3-7-5/h1-3,8H,(H2,6,9,10)
InChIKey
ZHYAXTKFHYTYSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.27
TPSA
93.28

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.5
XLogP3
-0.1
Consensus LogP
-0.39
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
Class (SILICOS-IT)
Very 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)
-4.18

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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