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CAS 16819-43-5 4,4′-(ethyne-1,2-diyl)dibenzoic acid molecular structure lightbox
CAS RN: 16819-43-5

4,4′-(ethyne-1,2-diyl)dibenzoic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260319 100mg In stock Shanghai Inquiry
Batchno.20260630 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251020 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250504 5g In stock Shanghai Inquiry
  • Product code: SSC-073325
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 16819-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

16819-43-5 / 4-[2-(4-carboxyphenyl)ethynyl]benzoic acid

Standard CAS: 16819-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16819-43-5
Multi CAS
No
Molecular Formula
C16H10O4
Molecular Weight
266.250000
Exact Mass
266.057909
SMILES
C1=CC(=CC=C1C#CC2=CC=C(C=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C16H10O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,(H,17,18)(H,19,20)
InChIKey
ARBAMECCCQZCSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.78
TPSA
74.6

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
3
Consensus LogP
2.56
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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