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CAS 162356-90-3 2-Bromo-N-(tert-butoxycarbonyl)benzylamine molecular structure lightbox
CAS RN: 162356-90-3

2-Bromo-N-(tert-butoxycarbonyl)benzylamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-069898
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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: 1g, 5g, 0.25g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 162356-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 3 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

162356-90-3 / tert-butyl N-[(2-bromophenyl)methyl]carbamate

Standard CAS: 162356-90-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
162356-90-3
Multi CAS
No
Molecular Formula
C12H16BrNO2
Molecular Weight
286.160000
Exact Mass
285.036440
SMILES
CC(C)(C)OC(=O)NCC1=CC=CC=C1Br
InChI
InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3,(H,14,15)
InChIKey
DFNZFCPEUDSNEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.22
TPSA
38.33

LogP / Solubility

WLOGP
3.47
MLOGP
3.07
XLogP3
3.1
Consensus LogP
3.21
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501

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