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CAS 59337-93-8 Methyl 3-aminosulfonylthiophene-2-carboxylate molecular structure lightbox
CAS RN: 59337-93-8

Methyl 3-aminosulfonylthiophene-2-carboxylate

  • Product code: SSC-167808
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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: 5g
  • 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 59337-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

59337-93-8 / methyl 3-sulfamoylthiophene-2-carboxylate

Standard CAS: 59337-93-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59337-93-8
Multi CAS
Yes
Molecular Formula
C6H7NO4S2
Molecular Weight
221.300000
Exact Mass
220.981650
InChI
InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChIKey
PMXNPOJHBQDJKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.03
TPSA
86.46

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.4
Consensus LogP
0.25
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.94

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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