CAS RN: 68254-08-0
6-METHYL-4-OXO-1-PHENYL-1,4-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID
- Product code: SSC-177971
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 |
68254-08-0 / 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid
Basic Information
CAS
68254-08-0
Multi CAS
No
Molecular Formula
C12H10N2O3
Molecular Weight
230.220000
Exact Mass
230.069142
InChI
InChI=1S/C12H10N2O3/c1-8-7-10(15)11(12(16)17)13-14(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKey
IYLQQYCKWAAZLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.53
TPSA
72.19
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
2.4
Consensus LogP
1.58
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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