CAS RN: 23468-31-7
6-CHLOROPIPERONYL CHLORIDE
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.20250312 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS23468-31-7
- Purity/Analytical Methods: >99.0%
23468-31-7 / 5-chloro-6-(chloromethyl)-1,3-benzodioxole
Basic Information
CAS
23468-31-7
Multi CAS
No
Molecular Formula
C8H6Cl2O2
Molecular Weight
205.030000
Exact Mass
203.974485
SMILES
C1OC2=C(O1)C=C(C(=C2)CCl)Cl
InChI
InChI=1S/C8H6Cl2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2
InChIKey
APJKOQPCHGXQBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.13
TPSA
18.46
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-1.98
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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