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CAS 30059-39-3 1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDE molecular structure lightbox
CAS RN: 30059-39-3

1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONAMIDE

  • Product code: SSC-133667
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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 30059-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

30059-39-3 / 1,2,3,4-tetrahydroquinoline-6-sulfonamide

Standard CAS: 30059-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30059-39-3
Multi CAS
No
Molecular Formula
C9H12N2O2S
Molecular Weight
212.270000
Exact Mass
212.061949
InChI
InChI=1S/C9H12N2O2S/c10-14(12,13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H2,10,12,13)
InChIKey
QHENAAWCTFTYNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.63
TPSA
72.19

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.9
Consensus LogP
0.73
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.52

Drug-likeness / Medicinal Chemistry

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

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