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CAS 230647-85-5 4′-ACETYL-BIPHENYL-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 230647-85-5

4′-ACETYL-BIPHENYL-4-CARBALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-112407
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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: 0.25g
  • 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 230647-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

230647-85-5 / 4-(4-acetylphenyl)benzaldehyde

Standard CAS: 230647-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
230647-85-5
Multi CAS
No
Molecular Formula
C15H12O2
Molecular Weight
224.250000
Exact Mass
224.083730
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C15H12O2/c1-11(17)13-6-8-15(9-7-13)14-4-2-12(10-16)3-5-14/h2-10H,1H3
InChIKey
WSFMNWXMJBFYQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.27
TPSA
34.14

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
2.7
Consensus LogP
3.01
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.7

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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