CAS RN: 2288708-62-1
tert-Butyl 4-(1H-indazol-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2288708-62-1
- Purity/Analytical Methods: >99.0%
2288708-62-1 / tert-butyl 4-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Basic Information
CAS
2288708-62-1
Multi CAS
No
Molecular Formula
C17H21N3O2
Molecular Weight
299.370000
Exact Mass
299.163377
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)C2=NNC3=CC=CC=C32
InChI
InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-10-8-12(9-11-20)15-13-6-4-5-7-14(13)18-19-15/h4-8H,9-11H2,1-3H3,(H,18,19)
InChIKey
CWPUCSFRVLGMBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.41
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.49
TPSA
58.22
LogP / Solubility
WLOGP
3.59
MLOGP
3.17
XLogP3
2.6
Consensus LogP
3.12
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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