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CAS 40803-53-0 5-BROMO-2-METHOXYCINNAMIC ACID molecular structure lightbox
CAS RN: 40803-53-0

5-BROMO-2-METHOXYCINNAMIC ACID

  • Product code: SSC-149145
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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: 25g
  • 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 40803-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

40803-53-0 / 3-(5-bromo-2-methoxyphenyl)prop-2-enoic acid

Standard CAS: 40803-53-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40803-53-0
Multi CAS
Yes
Molecular Formula
C10H9BRO3
Molecular Weight
257.080000
Exact Mass
255.973510
InChI
InChI=1S/C10H9BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+
InChIKey
QABZTGNRWBRJBO-GORDUTHDSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.36
TPSA
46.53

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.5
Consensus LogP
2.44
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.47

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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