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CAS 1261497-91-9 2-Bromo-6-iodobenzaldehyde 95+% molecular structure lightbox
CAS RN: 1261497-91-9

2-Bromo-6-iodobenzaldehyde 95+%

  • Product code: starshine_CAS1261497-91-9
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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: 0.1g, 0.25g, 1g, 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 1261497-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g 95%+ 0 Out of Stock Hong Kong Inquiry
0.25g 95%+ 0 Out of Stock Shenzhen Inquiry
1g 95%+ 0 Out of Stock Shenzhen Inquiry
5g 95%+ 0 Out of Stock Hong Kong Inquiry

1261497-91-9 / 2-bromo-6-iodobenzaldehyde

Standard CAS: 1261497-91-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261497-91-9
Multi CAS
No
Molecular Formula
C7H4BrIO
Molecular Weight
310.910000
Exact Mass
309.849020
SMILES
C1=CC(=C(C(=C1)I)C=O)Br
InChI
InChI=1S/C7H4BrIO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKey
FHQXAUNEIBFTPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.25
TPSA
17.07

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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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