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CAS 10527-69-2 2,6-dibromo-4-iodoaniline molecular structure lightbox
CAS RN: 10527-69-2

2,6-dibromo-4-iodoaniline

  • Product code: SSC-007015
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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 10527-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

10527-69-2 / 2,6-dibromo-4-iodoaniline

2,6-dibromo-4-iodoaniline | MFCD30148324 | SCHEMBL28062197

Standard CAS: 10527-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10527-69-2
Multi CAS
No
Molecular Formula
C6H4Br2IN
Molecular Weight
376.810000
Exact Mass
376.773470
SMILES
C1=C(C=C(C(=C1Br)N)Br)I
InChI
InChI=1S/C6H4Br2IN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
InChIKey
YOZIRJKYQFUJAL-UHFFFAOYSA-N
Synonyms
2,6-dibromo-4-iodoaniline MFCD30148324 SCHEMBL28062197 SY319375

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.97
TPSA
26.02

LogP / Solubility

WLOGP
3.4
MLOGP
3.01
XLogP3
3.3
Consensus LogP
3.24
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61

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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