CAS RN: 93439-37-3
6-CHLOROACETYL-1 4-BENZODIOXANE 97
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.20251220 | 5g / 25g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS93439-37-3
- Purity/Analytical Methods: >99.0%
93439-37-3 / 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Basic Information
CAS
93439-37-3
Multi CAS
No
Molecular Formula
C10H9CLO3
Molecular Weight
212.630000
Exact Mass
212.024022
InChI
InChI=1S/C10H9ClO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2
InChIKey
ILEYSCVQRULQKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.48
TPSA
35.53
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
1.2
Consensus LogP
1.58
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
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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