![CAS 1260169-03-6 ethyl 2-(bis(tert-butoxycarbonyl)aMino)pyrazolo[1,5-a]pyriMidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260169-03-6.gif)
CAS RN: 1260169-03-6
ethyl 2-(bis(tert-butoxycarbonyl)aMino)pyrazolo[1,5-a]pyriMidine-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260319 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1260169-03-6
- Purity/Analytical Methods: >99.0%
1260169-03-6 / ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
Basic Information
CAS
1260169-03-6
Multi CAS
No
Molecular Formula
C19H26N4O6
Molecular Weight
406.400000
Exact Mass
406.185235
SMILES
CCOC(=O)C1=C2N=CC=CN2N=C1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H26N4O6/c1-8-27-15(24)12-13-20-10-9-11-22(13)21-14(12)23(16(25)28-18(2,3)4)17(26)29-19(5,6)7/h9-11H,8H2,1-7H3
InChIKey
KIDXXHJOMPTDND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
9
Molar refractivity
103.89
TPSA
112.33
LogP / Solubility
WLOGP
3.58
MLOGP
3.18
XLogP3
2.8
Consensus LogP
3.19
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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