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CAS 23256-30-6 nifurtimox molecular structure lightbox
CAS RN: 23256-30-6

nifurtimox

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 1g In stock Shanghai Inquiry
Batchno.20250111 250mg In stock Shanghai Inquiry
Batchno.20250925 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS23256-30-6
  • Purity/Analytical Methods: >99.0%
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23256-30-6 / N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine

Standard CAS: 23256-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23256-30-6
Multi CAS
No
Molecular Formula
C10H13N3O5S
Molecular Weight
287.290000
Exact Mass
287.057592
SMILES
CC1CS(=O)(=O)CCN1N=CC2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
InChIKey
ARFHIAQFJWUCFH-IZZDOVSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
67.78
TPSA
106.02

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
1.3
Consensus LogP
0.84
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-4.02

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
2

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