CAS RN: 1228631-58-0
N,N-Boc, Boc-2-aMino-3-Methylpyridine
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.20250201 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1228631-58-0
- Purity/Analytical Methods: >99.0%
1228631-58-0 / tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-methyl-2-pyridinyl)carbamate
Basic Information
CAS
1228631-58-0
Multi CAS
No
Molecular Formula
C16H24N2O4
Molecular Weight
308.370000
Exact Mass
308.173607
SMILES
CC1=C(N=CC=C1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H24N2O4/c1-11-9-8-10-17-12(11)18(13(19)21-15(2,3)4)14(20)22-16(5,6)7/h8-10H,1-7H3
InChIKey
JQKOJGKCULSCOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
83.92
TPSA
68.73
LogP / Solubility
WLOGP
4.07
MLOGP
3.59
XLogP3
3.5
Consensus LogP
3.72
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
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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