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CAS 39515-51-0 3-Phenoxybenzaldehyde molecular structure lightbox
CAS RN: 39515-51-0

3-Phenoxybenzaldehyde

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260609 1kg In stock Shanghai Inquiry
Batchno.20250718 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260409 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-147200
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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: 500g
  • Available purity: >97%
  • 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 39515-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

39515-51-0 / (4-hydroxyphenyl)-phenylmethanone

Standard CAS: 39515-51-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39515-51-0
Multi CAS
Yes
Molecular Formula
C13H10O2
Molecular Weight
198.220000
Exact Mass
198.068080
InChI
InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H
InChIKey
NPFYZDNDJHZQKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.98
TPSA
37.3

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
3.1
Consensus LogP
2.68
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

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

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