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CAS 139305-96-7 (S)-1-(3-Bromophenyl)ethylamine molecular structure lightbox
CAS RN: 139305-96-7

(S)-1-(3-Bromophenyl)ethylamine

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260502 1g In stock Shandong Inquiry
Batchno.20250529 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-049753
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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, 0.1g, 0.25g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 139305-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g ≥98% 1 In Stock Hong Kong Inquiry
0.1g -- 0 Out of Stock Beijing Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g -- 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

139305-96-7 / (1S)-1-(3-bromophenyl)ethanamine

Standard CAS: 139305-96-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139305-96-7
Multi CAS
No
Molecular Formula
C8H10BrN
Molecular Weight
200.080000
Exact Mass
198.999660
SMILES
C[C@@H](C1=CC(=CC=C1)Br)N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey
LIBZHYLTOAGURM-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.74
TPSA
26.02

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H411 (88.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501

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