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CAS 156-06-9 Phenylpyruvic Acid molecular structure lightbox
CAS RN: 156-06-9

Phenylpyruvic Acid

Product Availability

Choose a grade to view its available package options.

9 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 100g In stock Shanghai Inquiry
Batchno.20250308 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251206 25g In stock Shanghai Inquiry
Batchno.20251230 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 100g Out of stock Inquiry
Batchno.20251107 10g Out of stock Inquiry
Batchno.20250508 1g Out of stock Inquiry
Batchno.20260116 25g Out of stock Inquiry
Batchno.20251014 5g Out of stock Inquiry
  • Product code: SSC-065179
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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: 5g
  • 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 156-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

156-06-9 / 2-oxo-3-phenylpropanoic acid

Standard CAS: 156-06-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
156-06-9
Multi CAS
No
Molecular Formula
C9H8O3
Molecular Weight
164.160000
Exact Mass
164.047344
SMILES
C1=CC=C(C=C1)CC(=O)C(=O)O
InChI
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey
BTNMPGBKDVTSJY-UHFFFAOYSA-N

Physical Properties

Melting Point
154 °C
Physical Description
Pale yellow or white crystalline powder; Hygroscopic; Solid White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.79
TPSA
54.37

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
1.3
Consensus LogP
0.98
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-3.09

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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