[email protected]
CAS 66869-74-7 2-Propynoic acid, 3-(4-pyridinyl)- (9CI) molecular structure lightbox
CAS RN: 66869-74-7

2-Propynoic acid, 3-(4-pyridinyl)- (9CI)

  • Product code: SSC-176512
GET A QUOTE
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: 1g, 5g, 0.1g, 0.25g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 66869-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Shenzhen Inquiry

66869-74-7 / 3-pyridin-4-ylprop-2-ynoic acid

Standard CAS: 66869-74-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66869-74-7
Multi CAS
No
Molecular Formula
C8H5NO2
Molecular Weight
147.130000
Exact Mass
147.032028
InChI
InChI=1S/C8H5NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3-6H,(H,10,11)
InChIKey
XXZFDZHMDVKNLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.75
TPSA
50.19

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
1
Consensus LogP
0.66
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.25

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

Customers Also Viewed

Get In Touch

Contact Us