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CAS 50471-44-8 Vinclozolin in Acetone, 100μg/mL,u=2% in acetone molecular structure lightbox
CAS RN: 50471-44-8

Vinclozolin in Acetone, 100μg/mL,u=2% in acetone

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5 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 1ml In stock Shanghai Inquiry
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Batchno.20250204 25mg Out of stock Inquiry
Batchno.20260625 50mg Out of stock Inquiry
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Batchno.20260419 250mg In stock Inquiry
Batchno.20251130 50mg Out of stock Inquiry
  • Product code: LINV820457
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50471-44-8 / 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione

Standard CAS: 50471-44-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
50471-44-8
Multi CAS
Yes
Molecular Formula
C12H9CL2NO3
Molecular Weight
286.110000
Exact Mass
284.995949
InChI
InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
InChIKey
FSCWZHGZWWDELK-UHFFFAOYSA-N

Physical Properties

Melting Point
108 °C
Boiling Point
BP: 131 °C at 0.05 mm Hg
Density
1.51 g/cu cm
Physical Description
Vinclozolin appears as colorless crystals with slight aromatic odor. Used as a fungicide. Colorless solid; Technical product: White solid; [HSDB]
Appearance
Colorless crystals Crystalline solid Colorless to white crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.03
TPSA
46.61

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.1
Consensus LogP
3.18
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

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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