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CAS 91-48-5 α-Phenylcinnamic Acid molecular structure lightbox
CAS RN: 91-48-5

α-Phenylcinnamic Acid

  • Product code: SSC-203761
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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 91-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

91-48-5 / 3,3-diphenylprop-2-enoic acid

Standard CAS: 91-48-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91-48-5
Multi CAS
Yes
Molecular Formula
C15H12O2
Molecular Weight
224.250000
Exact Mass
224.083730
InChI
InChI=1S/C15H12O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKey
WMJBVALTYVXGHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.6
TPSA
37.3

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
3.8
Consensus LogP
3.27
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

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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