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CAS 17437-19-3 13-Aminotridecanoic acid molecular structure lightbox
CAS RN: 17437-19-3

13-Aminotridecanoic acid

  • Product code: SSC-076503
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 17437-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry

17437-19-3 / 13-aminotridecanoic acid

Standard CAS: 17437-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17437-19-3
Multi CAS
No
Molecular Formula
C13H27NO2
Molecular Weight
229.360000
Exact Mass
229.204179
SMILES
C(CCCCCCN)CCCCCC(=O)O
InChI
InChI=1S/C13H27NO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h1-12,14H2,(H,15,16)
InChIKey
YHNQOXAUNKFXNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.48
TPSA
63.32

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
0.1
Consensus LogP
2.12
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly 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)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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