![CAS 1250997-59-1 5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-4-Carboxylic Acid(WX140016) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250997-59-1.gif)
CAS RN: 1250997-59-1
5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-1H-Imidazo[4,5-C]Pyridine-4-Carboxylic Acid(WX140016)
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.20251026 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250997-59-1
- Purity/Analytical Methods: >99.0%
1250997-59-1 / 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
Basic Information
CAS
1250997-59-1
Multi CAS
No
Molecular Formula
C12H17N3O4
Molecular Weight
267.280000
Exact Mass
267.121906
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)O)N=CN2
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-4-7-8(14-6-13-7)9(15)10(16)17/h6,9H,4-5H2,1-3H3,(H,13,14)(H,16,17)
InChIKey
QSIMQYFAMRGECB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.61
TPSA
95.52
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
0.6
Consensus LogP
1.04
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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