![CAS 1394003-94-1 Tert-butyl pyrazolo[1,5-a]pyriMidin-2-ylcarbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1394003-94-1(2).gif)
CAS RN: 1394003-94-1
Tert-butyl pyrazolo[1,5-a]pyriMidin-2-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.20250122 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-049990
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1394003-94-1 / tert-butyl N-pyrazolo[1,5-a]pyrimidin-2-ylcarbamate
Basic Information
CAS
1394003-94-1
Multi CAS
No
Molecular Formula
C11H14N4O2
Molecular Weight
234.250000
Exact Mass
234.111676
SMILES
CC(C)(C)OC(=O)NC1=NN2C=CC=NC2=C1
InChI
InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)13-8-7-9-12-5-4-6-15(9)14-8/h4-7H,1-3H3,(H,13,14,16)
InChIKey
JHESLHSAPMWRQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.84
TPSA
68.52
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.2
Consensus LogP
1.7
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
6-chloro-1,5-naphthyridin-2(1H)-one
- CAS RN: 1394003-98-5
- Product Code: starshine_CAS1394003-98-5
- Purity/Analytical method: >99.0%
-
Ethyl 3-broMopyrazolo[1,5-a]pyriMidine-2-carboxylate
- CAS RN: 1394004-05-7
- Product Code: SSC-049992
-
-
4-(azetidin-1-yl)-7-methyl-5-{1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-4-yl}imidazo[5,1-f][1,2,4]triazine
- CAS RN: 1394033-54-5
- Product Code: SSC-050001
-
-
1-(3-AMinopyrrolidin-1-yl)ethanone hydrochloride
- CAS RN: 1394041-16-7
- Product Code: SSC-050010
![CAS 1394004-05-7 Ethyl 3-broMopyrazolo[1,5-a]pyriMidine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1394004-05-7.gif)
![CAS 1394033-54-5 4-(azetidin-1-yl)-7-methyl-5-{1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-4-yl}imidazo[5,1-f][1,2,4]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1394033-54-5.gif)
