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CAS 22513-17-3 12-Tricosanamine molecular structure lightbox
CAS RN: 22513-17-3

12-Tricosanamine

  • Product code: SSC-110088
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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 22513-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry

22513-17-3 / tricosan-12-amine

Standard CAS: 22513-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22513-17-3
Multi CAS
No
Molecular Formula
C23H49N
Molecular Weight
339.600000
Exact Mass
339.386501
SMILES
CCCCCCCCCCCC(CCCCCCCCCCC)N
InChI
InChI=1S/C23H49N/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23H,3-22,24H2,1-2H3
InChIKey
YQSUNFGPTVHTOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
1
H-bond donors
1
Molar refractivity
111.66
TPSA
26.02

LogP / Solubility

WLOGP
8.16
MLOGP
7.19
XLogP3
10.5
Consensus LogP
8.62
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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