CAS RN: 83792-61-4
VINCLOZOLIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS83792-61-4
- Purity/Analytical Methods: >99.0%
83792-61-4 / N-(3,5-dichlorophenyl)-2-hydroxy-2-methylbut-3-enamide
Basic Information
CAS
83792-61-4
Multi CAS
Yes
Molecular Formula
C11H11CL2NO2
Molecular Weight
260.110000
Exact Mass
259.016684
InChI
InChI=1S/C11H11Cl2NO2/c1-3-11(2,16)10(15)14-9-5-7(12)4-8(13)6-9/h3-6,16H,1H2,2H3,(H,14,15)
InChIKey
FBYYIBNYONAZCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.91
TPSA
49.33
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-2.27
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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