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CAS RN: 1092444-33-1
tert-butyl benzyl(5-chloro-3-isopropylpyrazolo[1,5-a]pyriMidin-7-yl)carbaMate
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.20250728 | 100mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1092444-33-1
- Purity/Analytical Methods: >99.0%
1092444-33-1 / tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
tert-Butyl benzyl(5-chloro-3-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate | MFCD30489226 | tert-butyl N-benzyl-N-(5-chloro-3-isopropyl-pyrazolo[1,5-a]pyrimidin-7-yl)carbamate
Basic Information
CAS
1092444-33-1
Multi CAS
No
Molecular Formula
C21H25ClN4O2
Molecular Weight
400.900000
Exact Mass
400.166604
SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)N(CC3=CC=CC=C3)C(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C21H25ClN4O2/c1-14(2)16-12-23-26-18(11-17(22)24-19(16)26)25(20(27)28-21(3,4)5)13-15-9-7-6-8-10-15/h6-12,14H,13H2,1-5H3
InChIKey
KCVVEIFZXCXRJG-UHFFFAOYSA-N
Synonyms
tert-Butyl benzyl(5-chloro-3-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
MFCD30489226
tert-butyl N-benzyl-N-(5-chloro-3-isopropyl-pyrazolo[1,5-a]pyrimidin-7-yl)carbamate
tert-butyl N-benzyl-N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)carbamate
tert-butyl N-benzyl-N-[5-chloro-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
110.95
TPSA
59.73
LogP / Solubility
WLOGP
5.45
MLOGP
4.82
XLogP3
5
Consensus LogP
5.09
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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