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CAS 1126367-88-1 5-bromo-4-chloro-2-methylaniline molecular structure lightbox
CAS RN: 1126367-88-1

5-bromo-4-chloro-2-methylaniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012976
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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: 0.25g, 1g, 5g, 10g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • 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 1126367-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 1 In Stock Shanghai Inquiry
1g >98% 1 In Stock Beijing Inquiry
5g >98% 1 In Stock Hong Kong Inquiry
10g >98% 0 Out of Stock Hong Kong Inquiry

1126367-88-1 / 5-bromo-4-chloro-2-methylaniline

5-Bromo-4-chloro-2-methylaniline | 5-Bromo-4-chloro-2-methyl-phenylamine | 5-bromo-4-chloro-2-methylbenzenamine

Standard CAS: 1126367-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1126367-88-1
Multi CAS
No
Molecular Formula
C7H7BrClN
Molecular Weight
220.490000
Exact Mass
218.945040
SMILES
CC1=CC(=C(C=C1N)Br)Cl
InChI
InChI=1S/C7H7BrClN/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,10H2,1H3
InChIKey
INBHOPYATVVLEM-UHFFFAOYSA-N
Synonyms
5-Bromo-4-chloro-2-methylaniline 5-Bromo-4-chloro-2-methyl-phenylamine 5-bromo-4-chloro-2-methylbenzenamine 5-Bromo-4-chloro-2-methyl-aniline MFCD11846179

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.3
TPSA
26.02

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-1.94

Drug-likeness / Medicinal Chemistry

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

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