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CAS 117-34-0 Diphenylacetic Acid molecular structure lightbox
CAS RN: 117-34-0

Diphenylacetic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Shanghai, Chongqing Inquiry
  • Product code: SSC-016825
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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: 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 117-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 1 In Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

117-34-0 / 2,2-diphenylacetic acid

DIPHENYLACETIC ACID | 2,2-diphenylacetic acid | Diphenylethanoic acid

Standard CAS: 117-34-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
117-34-0
Multi CAS
No
Molecular Formula
C14H12O2
Molecular Weight
212.240000
Exact Mass
212.083730
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKey
PYHXGXCGESYPCW-UHFFFAOYSA-N
Synonyms
DIPHENYLACETIC ACID 2,2-diphenylacetic acid Diphenylethanoic acid Benzeneacetic acid, alpha-phenyl- alpha-phenylbenzeneacetic acid

Physical Properties

Physical Description
Solid; [Merck Index] White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.36
TPSA
37.3

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3.1
Consensus LogP
2.85
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-1.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (52.2%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (34.8%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (65.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (34.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501

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