![CAS 943026-40-2 3-CHLORO-6,7-DIHYDRO[1,4]DIOXINO[2,3-C]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/943026-40-2.gif)
CAS RN: 943026-40-2
3-CHLORO-6,7-DIHYDRO[1,4]DIOXINO[2,3-C]PYRIDAZINE
- Product code: SSC-208991
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
943026-40-2 / 3-chloro-6,7-dihydro-[1,4]dioxino[2,3-c]pyridazine
Basic Information
CAS
943026-40-2
Multi CAS
No
Molecular Formula
C6H5CLN2O2
Molecular Weight
172.570000
Exact Mass
172.003955
InChI
InChI=1S/C6H5ClN2O2/c7-5-3-4-6(9-8-5)11-2-1-10-4/h3H,1-2H2
InChIKey
PVPVPUGHBYWWMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
4
Molar refractivity
38.03
TPSA
44.24
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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