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CAS 289687-20-3 2-BROMO-3-CHLORO-4-METHYLBENZENAMINE molecular structure lightbox
CAS RN: 289687-20-3

2-BROMO-3-CHLORO-4-METHYLBENZENAMINE

  • Product code: SSC-131050
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 289687-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

289687-20-3 / 2-bromo-3-chloro-4-methylaniline

Standard CAS: 289687-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
289687-20-3
Multi CAS
No
Molecular Formula
C7H7BRCLN
Molecular Weight
220.490000
Exact Mass
218.945040
InChI
InChI=1S/C7H7BrClN/c1-4-2-3-5(10)6(8)7(4)9/h2-3H,10H2,1H3
InChIKey
AANFZIRAVKGZGG-UHFFFAOYSA-N

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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