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CAS 1384265-18-2 3-broMo-5-chloro-2-fluoroaniline HCl molecular structure lightbox
CAS RN: 1384265-18-2

3-broMo-5-chloro-2-fluoroaniline HCl

  • Product code: SSC-048399
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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 1384265-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1384265-18-2 / 3-bromo-5-chloro-2-fluoroaniline;hydrochloride

Standard CAS: 1384265-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384265-18-2
Multi CAS
No
Molecular Formula
C6H5BrCl2FN
Molecular Weight
260.920000
Exact Mass
258.896650
SMILES
C1=C(C=C(C(=C1N)F)Br)Cl.Cl
InChI
InChI=1S/C6H4BrClFN.ClH/c7-4-1-3(8)2-5(10)6(4)9;/h1-2H,10H2;1H
InChIKey
HCOZLUMNIRGYJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.77
TPSA
26.02

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.25
Consensus LogP
3.12
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.05
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)
-2.01

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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