CAS RN: 91973-93-2
(6-Oxo-3-phenylpyridazin-1(6H)-yl)acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS91973-93-2
- Purity/Analytical Methods: >99.0%
91973-93-2 / 2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid
Basic Information
CAS
91973-93-2
Multi CAS
No
Molecular Formula
C12H10N2O3
Molecular Weight
230.220000
Exact Mass
230.069142
InChI
InChI=1S/C12H10N2O3/c15-11-7-6-10(9-4-2-1-3-5-9)13-14(11)8-12(16)17/h1-7H,8H2,(H,16,17)
InChIKey
LCGVBLNLPUJFQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.57
TPSA
72.19
LogP / Solubility
WLOGP
0.99
MLOGP
0.88
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.42
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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