CAS RN: 645405-18-1
4-Chloro-5-hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
- Product code: SSC-174280
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 | Hong Kong | Inquiry |
645405-18-1 / 4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
Basic Information
CAS
645405-18-1
Multi CAS
No
Molecular Formula
C9H11CLN2O3
Molecular Weight
230.650000
Exact Mass
230.045820
InChI
InChI=1S/C9H11ClN2O3/c10-8-6(13)5-11-12(9(8)14)7-3-1-2-4-15-7/h5,7,13H,1-4H2
InChIKey
XZBUPOMTNWZPKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.01
TPSA
64.35
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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