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CAS 13565-09-8 (2E)-3-(4-bromophenyl)acryloyl chloride molecular structure lightbox
CAS RN: 13565-09-8

(2E)-3-(4-bromophenyl)acryloyl chloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-044197
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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 13565-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

13565-09-8 / (E)-3-(4-bromophenyl)prop-2-enoyl chloride

Standard CAS: 13565-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13565-09-8
Multi CAS
No
Molecular Formula
C9H6BrClO
Molecular Weight
245.500000
Exact Mass
243.929060
SMILES
C1=CC(=CC=C1/C=C/C(=O)Cl)Br
InChI
InChI=1S/C9H6BrClO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H/b6-3+
InChIKey
YLABICHHIYWLQM-ZZXKWVIFSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
54.04
TPSA
17.07

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.5
Consensus LogP
3.19
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

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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