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CAS 887976-19-4 6-(3-Chlorophenyl)-nicotinic acid molecular structure lightbox
CAS RN: 887976-19-4

6-(3-Chlorophenyl)-nicotinic acid

  • Product code: SSC-200500
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 887976-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 3 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry

887976-19-4 / 6-(3-chlorophenyl)pyridine-3-carboxylic acid

Standard CAS: 887976-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887976-19-4
Multi CAS
No
Molecular Formula
C12H8CLNO2
Molecular Weight
233.650000
Exact Mass
233.024356
InChI
InChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16/h1-7H,(H,15,16)
InChIKey
NWBCIKJWYVAJLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.64
TPSA
50.19

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
2.7
Consensus LogP
2.84
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.94

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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