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CAS 1609-92-3 (Z)-3-BROMOACRYLIC ACID molecular structure lightbox
CAS RN: 1609-92-3

(Z)-3-BROMOACRYLIC ACID

  • Product code: SSC-068617
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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 1609-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1609-92-3 / (Z)-3-bromoprop-2-enoic acid

Standard CAS: 1609-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1609-92-3
Multi CAS
No
Molecular Formula
C3H3BrO2
Molecular Weight
150.960000
Exact Mass
149.931640
SMILES
C(=C\Br)\C(=O)O
InChI
InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1-
InChIKey
POAWTYXNXPEWCO-UPHRSURJSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.7
TPSA
37.3

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.85
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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