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CAS 17999-75-6 7-Methyl-8-quinoxalinesulfonyl Chloride molecular structure lightbox
CAS RN: 17999-75-6

7-Methyl-8-quinoxalinesulfonyl Chloride

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Batchno.20250719 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17999-75-6
  • Purity/Analytical Methods: >99.0%
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17999-75-6 / 7-methylquinoline-8-sulfonyl chloride

Standard CAS: 17999-75-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17999-75-6
Multi CAS
No
Molecular Formula
C10H8ClNO2S
Molecular Weight
241.690000
Exact Mass
240.996427
SMILES
CC1=C(C2=C(C=CC=N2)C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H8ClNO2S/c1-7-4-5-8-3-2-6-12-9(8)10(7)15(11,13)14/h2-6H,1H3
InChIKey
IBKAMDKVGHVQEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.52
TPSA
47.03

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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