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CAS 7681-15-4 propyl nicotinate molecular structure lightbox
CAS RN: 7681-15-4

propyl nicotinate

  • Product code: SSC-186232
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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, 5g, 10g, 25g, 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 6
  • 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 7681-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 2 In Stock Shanghai Inquiry
0.25g ≥98% 2 In Stock Shanghai Inquiry
5g ≥98% 2 In Stock Shanghai Inquiry
10g ≥98% 2 In Stock Shenzhen Inquiry
25g ≥98% 2 In Stock Shenzhen Inquiry
1g ≥98% 1 In Stock Beijing Inquiry

7681-15-4 / propyl pyridine-3-carboxylate

Standard CAS: 7681-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7681-15-4
Multi CAS
No
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3
InChIKey
CLAOCVVWIKGTOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
44.81
TPSA
39.19

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.9
Consensus LogP
1.67
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately 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)
-2.56

Drug-likeness / Medicinal Chemistry

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

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