![CAS 2007920-62-7 tert-butyl 3-bromopyrazolo[1,5-a]pyrimidin-6-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007920-62-7.png)
CAS RN: 2007920-62-7
tert-butyl 3-bromopyrazolo[1,5-a]pyrimidin-6-ylcarbamate
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.20260420 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2007920-62-7
- Purity/Analytical Methods: >99.0%
2007920-62-7 / tert-butyl N-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)carbamate
Basic Information
CAS
2007920-62-7
Multi CAS
No
Molecular Formula
C11H13BrN4O2
Molecular Weight
313.150000
Exact Mass
312.022190
SMILES
CC(C)(C)OC(=O)NC1=CN2C(=C(C=N2)Br)N=C1
InChI
InChI=1S/C11H13BrN4O2/c1-11(2,3)18-10(17)15-7-4-13-9-8(12)5-14-16(9)6-7/h4-6H,1-3H3,(H,15,17)
InChIKey
JZAMWIGTKKDBCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.54
TPSA
68.52
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
1.6
Consensus LogP
2.32
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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