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CAS 144501-28-0 2-Phenyl-nicotinic acid ethyl ester molecular structure lightbox
CAS RN: 144501-28-0

2-Phenyl-nicotinic acid ethyl ester

  • Product code: SSC-055690
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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, 5g, 0.1g, 0.25g, 1g, 25g
  • Available purity: ≥95%
  • 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 144501-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

144501-28-0 / ethyl 2-phenylpyridine-3-carboxylate

Standard CAS: 144501-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144501-28-0
Multi CAS
No
Molecular Formula
C14H13NO2
Molecular Weight
227.260000
Exact Mass
227.094629
SMILES
CCOC(=O)C1=C(N=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO2/c1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKey
RQHOSUIKZMCYGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
65.63
TPSA
39.19

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
2.7
Consensus LogP
2.74
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.03

Drug-likeness / Medicinal Chemistry

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

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