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CAS 1210-39-5 BETA-PHENYLCINNAMALDEHYDE molecular structure lightbox
CAS RN: 1210-39-5

BETA-PHENYLCINNAMALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-022364
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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
  • 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 1210-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1210-39-5 / 3,3-diphenylprop-2-enal

3,3-Diphenylacrylaldehyde | beta-Phenylcinnamaldehyde | 3,3-Diphenylacrolein

Standard CAS: 1210-39-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1210-39-5
Multi CAS
Yes
Molecular Formula
C15H12O
Molecular Weight
208.250000
Exact Mass
208.088815
SMILES
C1=CC=C(C=C1)C(=CC=O)C2=CC=CC=C2
InChI
InChI=1S/C15H12O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKey
MWAFWBDWAWZJGK-UHFFFAOYSA-N
Synonyms
3,3-Diphenylacrylaldehyde beta-Phenylcinnamaldehyde 3,3-Diphenylacrolein 2-Propenal, 3,3-diphenyl- Acrolein, 3,3-diphenyl-

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
66.03
TPSA
17.07

LogP / Solubility

WLOGP
3.32
MLOGP
2.92
XLogP3
3.7
Consensus LogP
3.31
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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)
-1.64

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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