![CAS 1383056-73-2 2-(tert-butoxycarbonylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1383056-73-2.gif)
CAS RN: 1383056-73-2
2-(tert-butoxycarbonylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
- Product code: SSC-048216
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1383056-73-2 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Basic Information
CAS
1383056-73-2
Multi CAS
No
Molecular Formula
C12H14N4O4
Molecular Weight
278.260000
Exact Mass
278.101505
SMILES
CC(C)(C)OC(=O)NC1=NN2C=CC=NC2=C1C(=O)O
InChI
InChI=1S/C12H14N4O4/c1-12(2,3)20-11(19)14-8-7(10(17)18)9-13-5-4-6-16(9)15-8/h4-6H,1-3H3,(H,17,18)(H,14,15,19)
InChIKey
YJHHNBKLVFDPJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.8
TPSA
105.82
LogP / Solubility
WLOGP
1.77
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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