![CAS 1251014-60-4 3-Hydroxymethyl-1,4,5,7-Tetrahydro-Pyrazolo[3,4-C]Pyridine-6-Carboxylic Acid Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251014-60-4.gif)
CAS RN: 1251014-60-4
3-Hydroxymethyl-1,4,5,7-Tetrahydro-Pyrazolo[3,4-C]Pyridine-6-Carboxylic Acid Tert-Butyl Ester
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.20250905 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251014-60-4
- Purity/Analytical Methods: >99.0%
1251014-60-4 / tert-butyl 3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
Basic Information
CAS
1251014-60-4
Multi CAS
No
Molecular Formula
C12H19N3O3
Molecular Weight
253.300000
Exact Mass
253.142641
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2CO
InChI
InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-5-4-8-9(6-15)13-14-10(8)7-16/h16H,4-7H2,1-3H3,(H,13,14)
InChIKey
ZKGQWZAIBXXWFH-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
4
H-bond donors
2
Molar refractivity
64.86
TPSA
78.45
LogP / Solubility
WLOGP
1.2
MLOGP
1.06
XLogP3
0.1
Consensus LogP
0.79
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1251014-69-3 1-Hydroxymethyl-6,7-Dihydro-5H,9H-Imidazo[1,5-A][1,4]Diazepine-8-Carboxylic Acid Tert-Butyl Ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-Hydroxymethyl-6,7-Dihydro-5H,9H-Imidazo[1,5-A][1,4]Diazepine-8-Carboxylic Acid Tert-Butyl Ester
- CAS RN: 1251014-69-3
- Product Code: starshine_CAS1251014-69-3
- Purity/Analytical method: >99.0%
-
7-Hydroxymethyl-7,8-Dihydro-4H,6H-1,5,8A-Triaza-Azulene-5-Carboxylic Acid Tert-Butyl Ester(WX140192)
- CAS RN: 1251014-84-2
- Product Code: starshine_CAS1251014-84-2
- Purity/Analytical method: >99.0%
-
Cis-Tert-Butyl8-Fluoro-3,4,4A,5-Tetrahydro-1H-Pyrido[4,3-B]Indole-2(9Bh)-Carboxylate
- CAS RN: 1251015-03-8
- Product Code: starshine_CAS1251015-03-8
- Purity/Analytical method: >99.0%
-
Spiro[benzofuran-3(2H),4′-piperidine]-1′-carboxylic acid, 5-broMo-, 1,1-diMethylethyl ester
- CAS RN: 1251015-16-3
- Product Code: SSC-029731
-
-
3,9-Diazabicyclo[4.2.1]nonane-9-carboxylic acid, 1,1-dimethylethyl ester
- CAS RN: 1251015-63-0
- Product Code: SSC-029733
![CAS 1251014-69-3 1-Hydroxymethyl-6,7-Dihydro-5H,9H-Imidazo[1,5-A][1,4]Diazepine-8-Carboxylic Acid Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251014-69-3.gif)
![CAS 1251015-03-8 Cis-Tert-Butyl8-Fluoro-3,4,4A,5-Tetrahydro-1H-Pyrido[4,3-B]Indole-2(9Bh)-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251015-03-8.gif)
![CAS 1251015-16-3 Spiro[benzofuran-3(2H),4′-piperidine]-1′-carboxylic acid, 5-broMo-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251015-16-3.gif)
![CAS 1251015-62-9 2-Boc-7-aMino-2-Azabicyclo[2.2.1]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251015-62-9.gif)
![CAS 1251015-63-0 3,9-Diazabicyclo[4.2.1]nonane-9-carboxylic acid, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251015-63-0.gif)