![CAS 1251003-82-3 3-Hydroxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid tert-butyl ester(WX140674) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251003-82-3.gif)
CAS RN: 1251003-82-3
3-Hydroxymethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid tert-butyl ester(WX140674)
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.20260510 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251003-82-3
- Purity/Analytical Methods: >99.0%
1251003-82-3 / tert-butyl 3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
Basic Information
CAS
1251003-82-3
Multi CAS
No
Molecular Formula
C12H19N3O3
Molecular Weight
253.300000
Exact Mass
253.142641
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)CO)C1
InChI
InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)14-4-5-15-10(7-14)9(8-16)6-13-15/h6,16H,4-5,7-8H2,1-3H3
InChIKey
SKWSMSXJMYMAMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.79
TPSA
67.59
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
-0.2
Consensus LogP
0.64
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
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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