![CAS 1330765-07-5 Tert-Butyl 3-(Hydroxymethyl)-1-Methyl-6,7-Dihydro-1H-Pyrazolo[4,3-C]Pyridine-5(4H)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1330765-07-5.gif)
CAS RN: 1330765-07-5
Tert-Butyl 3-(Hydroxymethyl)-1-Methyl-6,7-Dihydro-1H-Pyrazolo[4,3-C]Pyridine-5(4H)-Carboxylate
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.20250319 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1330765-07-5
- Purity/Analytical Methods: >99.0%
1330765-07-5 / tert-butyl 3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
Basic Information
CAS
1330765-07-5
Multi CAS
No
Molecular Formula
C13H21N3O3
Molecular Weight
267.320000
Exact Mass
267.158292
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NN2C)CO
InChI
InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)16-6-5-11-9(7-16)10(8-17)14-15(11)4/h17H,5-8H2,1-4H3
InChIKey
YJZNSRVOJMBRAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.48
TPSA
67.59
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
0.1
Consensus LogP
0.79
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.49
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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