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CAS 293738-03-1 Benzoyl chloride, 5-bromo-2-iodo- molecular structure lightbox
CAS RN: 293738-03-1

Benzoyl chloride, 5-bromo-2-iodo-

  • Product code: SSC-132073
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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 293738-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

293738-03-1 / 5-bromo-2-iodobenzoyl chloride

Standard CAS: 293738-03-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
293738-03-1
Multi CAS
Yes
Molecular Formula
C7H3BRCLIO
Molecular Weight
345.360000
Exact Mass
343.810050
InChI
InChI=1S/C7H3BrClIO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKey
IAEYMICEYDVOLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.04
TPSA
17.07

LogP / Solubility

WLOGP
3.43
MLOGP
3.04
XLogP3
3.8
Consensus LogP
3.42
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-2.39

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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