![CAS 74169-56-5 3,4-Dimethyl-1-(4-nitrophenyl)pyrano[2,3-c]pyrazol-6(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/74169-56-5.png)
CAS RN: 74169-56-5
3,4-Dimethyl-1-(4-nitrophenyl)pyrano[2,3-c]pyrazol-6(1H)-one
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.20250415 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND889078
74169-56-5 / 3,4-dimethyl-1-(4-nitrophenyl)pyrano[3,2-d]pyrazol-6-one
Basic Information
CAS
74169-56-5
Multi CAS
No
Molecular Formula
C14H11N3O4
Molecular Weight
285.250000
Exact Mass
285.074956
InChI
InChI=1S/C14H11N3O4/c1-8-7-12(18)21-14-13(8)9(2)15-16(14)10-3-5-11(6-4-10)17(19)20/h3-7H,1-2H3
InChIKey
XHPVUPLVVARPMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
75.73
TPSA
91.17
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.4
Consensus LogP
2.37
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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