CAS RN: 1188477-11-3
Tert-Butyl5-Bromopyridin-2-yl(methyl)carbamate
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
- Product code: SSC-019082
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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1188477-11-3 / tert-butyl N-[(5-bromo-2-pyridinyl)methyl]carbamate
tert-Butyl ((5-bromopyridin-2-yl)methyl)carbamate | DTXSID20672086 | tert-Butyl [(5-bromopyridin-2-yl)methyl]carbamate
Basic Information
CAS
1188477-11-3
Multi CAS
Yes
Molecular Formula
C11H15BrN2O2
Molecular Weight
287.150000
Exact Mass
286.031690
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(C=C1)Br
InChI
InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-7-9-5-4-8(12)6-13-9/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey
VZSVACAXEJGOMW-UHFFFAOYSA-N
Synonyms
tert-Butyl ((5-bromopyridin-2-yl)methyl)carbamate
DTXSID20672086
tert-Butyl [(5-bromopyridin-2-yl)methyl]carbamate
RefChem:1099467
DTXCID30622835
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.01
TPSA
51.22
LogP / Solubility
WLOGP
2.87
MLOGP
2.54
XLogP3
2.1
Consensus LogP
2.5
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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