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CAS 501-52-0 3-Phenylpropionic Acid molecular structure lightbox
CAS RN: 501-52-0

3-Phenylpropionic Acid

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251122 25g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20251011 500g In stock Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250315 25g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Hebei, Shanghai, Chongqing, Guangdong Inquiry
  • Product code: SSC-156481
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 501-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry
1000g ≥98% 0 Out of Stock Shanghai Inquiry

501-52-0 / 3-phenylpropanoic acid

Standard CAS: 501-52-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
501-52-0
Multi CAS
Yes
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey
XMIIGOLPHOKFCH-UHFFFAOYSA-N

Physical Properties

Melting Point
45 - 48 °C
Boiling Point
280.00 °C. @ 760.00 mm Hg
Physical Description
White solid; [Merck Index] Off-white or white crystalline powder; Solid White crystalline solid, faint, sweet, somewhat balsamic and coumarin-like odour
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.4
TPSA
37.3

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.8
Consensus LogP
1.66
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.43

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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