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CAS 174496-99-2 ETHYL 4-CHLORONICOTINATE HCL molecular structure lightbox
CAS RN: 174496-99-2

ETHYL 4-CHLORONICOTINATE HCL

  • Product code: SSC-076535
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 174496-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Beijing Inquiry

174496-99-2 / ethyl 4-chloropyridine-3-carboxylate;hydrochloride

Standard CAS: 174496-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174496-99-2
Multi CAS
No
Molecular Formula
C8H9Cl2NO2
Molecular Weight
222.070000
Exact Mass
221.001034
SMILES
CCOC(=O)C1=C(C=CN=C1)Cl.Cl
InChI
InChI=1S/C8H8ClNO2.ClH/c1-2-12-8(11)6-5-10-4-3-7(6)9;/h3-5H,2H2,1H3;1H
InChIKey
LPFBXCWCEZYZOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.45
TPSA
39.19

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.42

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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