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CAS 35736-52-8 2,4-dibromo-5-methoxyaniline molecular structure lightbox
CAS RN: 35736-52-8

2,4-dibromo-5-methoxyaniline

  • Product code: SSC-142795
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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: 5g
  • 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 35736-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

35736-52-8 / 2,4-dibromo-5-methoxyaniline

Standard CAS: 35736-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35736-52-8
Multi CAS
No
Molecular Formula
C7H7BR2NO
Molecular Weight
280.940000
Exact Mass
280.887390
InChI
InChI=1S/C7H7Br2NO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3
InChIKey
RBFJSDKTASSGSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.81
TPSA
35.25

LogP / Solubility

WLOGP
2.8
MLOGP
2.48
XLogP3
2.6
Consensus LogP
2.63
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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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