CAS RN: 1499890-31-1
tert-butyl 6-aminopyridine-2-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.20250204 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1499890-31-1
- Purity/Analytical Methods: >99.0%
1499890-31-1 / tert-butyl 6-aminopyridine-2-carboxylate
Basic Information
CAS
1499890-31-1
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
CC(C)(C)OC(=O)C1=NC(=CC=C1)N
InChI
InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)7-5-4-6-8(11)12-7/h4-6H,1-3H3,(H2,11,12)
InChIKey
DGWJAKGLKLCRFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.82
TPSA
65.21
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
1.7
Consensus LogP
1.58
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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