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CAS 1160370-78-4 2-hydroxy-4-methyl-6-quinolinesulfonyl chloride(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1160370-78-4

2-hydroxy-4-methyl-6-quinolinesulfonyl chloride(SALTDATA: FREE)

  • Product code: SSC-016118
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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 1160370-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1160370-78-4 / 4-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride

2-Hydroxy-4-methylquinoline-6-sulfonyl chloride | 2-HYDROXY-4-METHYL-6-QUINOLINESULFONYL CHLORIDE | 4-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride

Standard CAS: 1160370-78-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1160370-78-4
Multi CAS
No
Molecular Formula
C10H8ClNO3S
Molecular Weight
257.690000
Exact Mass
256.991342
SMILES
CC1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H8ClNO3S/c1-6-4-10(13)12-9-3-2-7(5-8(6)9)16(11,14)15/h2-5H,1H3,(H,12,13)
InChIKey
NOEOALFXEBXCOA-UHFFFAOYSA-N
Synonyms
2-Hydroxy-4-methylquinoline-6-sulfonyl chloride 2-HYDROXY-4-METHYL-6-QUINOLINESULFONYL CHLORIDE 4-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride MFCD13188580 4-Methyl-2-oxo-1,2-dihydroquinoline-6-sulfonyl chloride

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.34
TPSA
67

LogP / Solubility

WLOGP
1.76
MLOGP
1.56
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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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