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CAS 946-99-6 Methyl 3-(4-bromomethyl)cinnamate molecular structure lightbox
CAS RN: 946-99-6

Methyl 3-(4-bromomethyl)cinnamate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260403 10g In stock Shanghai Inquiry
Batchno.20250815 1g In stock Shanghai Inquiry
Batchno.20260420 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260330 500g Out of stock Inquiry
Batchno.20250902 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-209712
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • 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 946-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

946-99-6 / methyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate

Standard CAS: 946-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
946-99-6
Multi CAS
Yes
Molecular Formula
C11H11BRO2
Molecular Weight
255.110000
Exact Mass
253.994240
InChI
InChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3/b7-6+
InChIKey
ZSRCGGBALFGALF-VOTSOKGWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
60.12
TPSA
26.3

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
3.2
Consensus LogP
2.8
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

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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