![CAS 1251001-42-9 4-Hydroxymethyl-3-Isopropyl-3,4,6,7-Tetrahydro-Imidazo[4,5-C]Pyridine-5-Carboxylic Acid Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251001-42-9.gif)
CAS RN: 1251001-42-9
4-Hydroxymethyl-3-Isopropyl-3,4,6,7-Tetrahydro-Imidazo[4,5-C]Pyridine-5-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.20260126 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1251001-42-9
- Purity/Analytical Methods: >99.0%
1251001-42-9 / tert-butyl 4-(hydroxymethyl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
Basic Information
CAS
1251001-42-9
Multi CAS
No
Molecular Formula
C15H25N3O3
Molecular Weight
295.380000
Exact Mass
295.189592
SMILES
CC(C)N1C=NC2=C1C(N(CC2)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C15H25N3O3/c1-10(2)18-9-16-11-6-7-17(12(8-19)13(11)18)14(20)21-15(3,4)5/h9-10,12,19H,6-8H2,1-5H3
InChIKey
JMBRLGSSSJULSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.08
TPSA
67.59
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
0.9
Consensus LogP
1.74
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly 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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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