![CAS 1624262-46-9 tert-Butyl 4-hydroxy-7,8-dihydropyrido[4′,3′:3,4]pyrazolo[1,5-a]pyriMidine-9(10H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12723340.gif)
CAS RN: 1624262-46-9
tert-Butyl 4-hydroxy-7,8-dihydropyrido[4′,3′:3,4]pyrazolo[1,5-a]pyriMidine-9(10H)-carboxylate
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.20260623 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1624262-46-9
- Purity/Analytical Methods: >99.0%
1624262-46-9 / tert-butyl 6-oxo-3,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4-triene-12-carboxylate
Basic Information
CAS
1624262-46-9
Multi CAS
No
Molecular Formula
C14H18N4O3
Molecular Weight
290.320000
Exact Mass
290.137890
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C3=NC=CC(=O)N3N2
InChI
InChI=1S/C14H18N4O3/c1-14(2,3)21-13(20)17-7-5-10-9(8-17)12-15-6-4-11(19)18(12)16-10/h4,6,16H,5,7-8H2,1-3H3
InChIKey
UZEGGGMZHJWRML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.16
TPSA
79.7
LogP / Solubility
WLOGP
1.32
MLOGP
1.17
XLogP3
0.4
Consensus LogP
0.96
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
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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