![CAS 2654746-98-0 Pyrido[3,4-d]pyridazine, 1,7-dichloro-4-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2654746-98-0.gif)
CAS RN: 2654746-98-0
Pyrido[3,4-d]pyridazine, 1,7-dichloro-4-methyl-
- Product code: SSC-124524
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2654746-98-0 / 1,7-dichloro-4-methylpyrido[3,4-d]pyridazine
Basic Information
CAS
2654746-98-0
Multi CAS
No
Molecular Formula
C8H5Cl2N3
Molecular Weight
214.050000
Exact Mass
212.986053
SMILES
CC1=NN=C(C2=CC(=NC=C12)Cl)Cl
InChI
InChI=1S/C8H5Cl2N3/c1-4-6-3-11-7(9)2-5(6)8(10)13-12-4/h2-3H,1H3
InChIKey
FMRFVRJBSXPUOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
3
Molar refractivity
52.09
TPSA
38.67
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.15
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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