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CAS 65039-19-2 4-n-Dodecyloxyaniline molecular structure lightbox
CAS RN: 65039-19-2

4-n-Dodecyloxyaniline

  • Product code: SSC-174699
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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: 0.05g, 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 65039-19-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >97% 5 In Stock Beijing Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry

65039-19-2 / 4-dodecoxyaniline

Standard CAS: 65039-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65039-19-2
Multi CAS
No
Molecular Formula
C18H31NO
Molecular Weight
277.400000
Exact Mass
277.240565
InChI
InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-16-20-18-14-12-17(19)13-15-18/h12-15H,2-11,16,19H2,1H3
InChIKey
VXMYUOSDIMLATO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
88.19
TPSA
35.25

LogP / Solubility

WLOGP
5.57
MLOGP
4.91
XLogP3
6.9
Consensus LogP
5.79
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.46

Drug-likeness / Medicinal Chemistry

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

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