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CAS 1615-53-8 sulfonidazole molecular structure lightbox
CAS RN: 1615-53-8

sulfonidazole

  • Product code: SSC-069144
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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 1615-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1615-53-8 / 1-methyl-2-methylsulfonyl-5-nitroimidazole

Standard CAS: 1615-53-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1615-53-8
Multi CAS
No
Molecular Formula
C5H7N3O4S
Molecular Weight
205.190000
Exact Mass
205.015727
SMILES
CN1C(=CN=C1S(=O)(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C5H7N3O4S/c1-7-4(8(9)10)3-6-5(7)13(2,11)12/h3H,1-2H3
InChIKey
RSOPCRYPVDDVAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
42.97
TPSA
95.1

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.8
Consensus LogP
-0.44
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-4.16

Drug-likeness / Medicinal Chemistry

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

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