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CAS 955-71-5 7-METHYL-2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOXALINE-6-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 955-71-5

7-METHYL-2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOXALINE-6-SULFONYL CHLORIDE

  • Product code: SSC-210903
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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 955-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

955-71-5 / 7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonyl chloride

Standard CAS: 955-71-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
955-71-5
Multi CAS
Yes
Molecular Formula
C9H7CLN2O4S
Molecular Weight
274.680000
Exact Mass
273.981506
InChI
InChI=1S/C9H7ClN2O4S/c1-4-2-5-6(3-7(4)17(10,15)16)12-9(14)8(13)11-5/h2-3H,1H3,(H,11,13)(H,12,14)
InChIKey
BQKUAQOSSJZTSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.97
TPSA
99.86

LogP / Solubility

WLOGP
0.45
MLOGP
0.41
XLogP3
0.8
Consensus LogP
0.55
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.94
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)
-4.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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