CAS RN: 1216620-65-3
N,N-DiBoc-2-amino-4-bromopyridine
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.20260524 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1216620-65-3
- Purity/Analytical Methods: >99.0%
1216620-65-3 / tert-butyl N-(4-bromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Basic Information
CAS
1216620-65-3
Multi CAS
No
Molecular Formula
C15H21BrN2O4
Molecular Weight
373.240000
Exact Mass
372.068470
SMILES
CC(C)(C)OC(=O)N(C1=NC=CC(=C1)Br)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H21BrN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-9-10(16)7-8-17-11/h7-9H,1-6H3
InChIKey
CNKRGILVFOHONI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
86.88
TPSA
68.73
LogP / Solubility
WLOGP
4.52
MLOGP
4
XLogP3
3.8
Consensus LogP
4.11
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
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
Yes
Log Kp (skin permeation)
-1.79
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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