CAS RN: 1354790-56-9
DMT1 blocker 1
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260421 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1354790-56-9
- Purity/Analytical Methods: >99.0%
1354790-56-9 / 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
Basic Information
CAS
1354790-56-9
Multi CAS
No
Molecular Formula
C16H14N4O2
Molecular Weight
294.310000
Exact Mass
294.111676
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=N2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21)
InChIKey
QJEBTCLOCMTSJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.32
TPSA
79.78
LogP / Solubility
WLOGP
2.12
MLOGP
1.88
XLogP3
2.2
Consensus LogP
2.07
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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