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CAS 1260667-46-6 2-(Boc-aMino)-5-broMoisonicotinaldehyde molecular structure lightbox
CAS RN: 1260667-46-6

2-(Boc-aMino)-5-broMoisonicotinaldehyde

  • Product code: SSC-031841
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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: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1260667-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

1260667-46-6 / tert-butyl N-(5-bromo-4-formyl-2-pyridinyl)carbamate

Standard CAS: 1260667-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260667-46-6
Multi CAS
No
Molecular Formula
C11H13BrN2O3
Molecular Weight
301.140000
Exact Mass
300.010950
SMILES
CC(C)(C)OC(=O)NC1=NC=C(C(=C1)C=O)Br
InChI
InChI=1S/C11H13BrN2O3/c1-11(2,3)17-10(16)14-9-4-7(6-15)8(12)5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKey
PFFUYNROGVVDIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.18
TPSA
68.29

LogP / Solubility

WLOGP
3
MLOGP
2.66
XLogP3
1.9
Consensus LogP
2.52
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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