CAS RN: 51050-59-0
3,4-DICHLOROISOCOUMARIN
Product Availability
Choose a grade to view its available package options.
6 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 100mg | Out of stock | Inquiry | |
| Batchno.20260609 | 10mg | Out of stock | Inquiry | |
| Batchno.20250208 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251104 | 25mg | Out of stock | Inquiry | |
| Batchno.20251202 | 50mg | Out of stock | Inquiry | |
| Batchno.20260101 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS51050-59-0
- Purity/Analytical Methods: >99.0%
51050-59-0 / 3,4-dichloroisochromen-1-one
Basic Information
CAS
51050-59-0
Multi CAS
Yes
Molecular Formula
C9H4CL2O2
Molecular Weight
215.030000
Exact Mass
213.958835
InChI
InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
InChIKey
SUGXUUGGLDCZKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
52.5
TPSA
30.21
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
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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