CAS RN: 923207-68-5
3-chloro-6-(3,5-diMethyl-1H-pyrazol-1-yl)pyridazine
- Product code: SSC-205931
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 | Beijing | Inquiry |
923207-68-5 / 3-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
Basic Information
CAS
923207-68-5
Multi CAS
No
Molecular Formula
C13H15CLN2O2
Molecular Weight
266.720000
Exact Mass
266.082205
InChI
InChI=1S/C13H15ClN2O2/c14-8-7-12(17)15-10-3-5-11(6-4-10)16-9-1-2-13(16)18/h3-6H,1-2,7-9H2,(H,15,17)
InChIKey
XZUBHHHZKAVOTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72
TPSA
49.41
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
1
Consensus LogP
1.83
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 923216-53-9 3-(1-METHYL-4-OXO-1,4-DIHYDRO-5H-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)PROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2796213.gif)
