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CAS 356092-19-8 N-(furan-2-ylmethyl)-3,4-dimethylaniline molecular structure lightbox
CAS RN: 356092-19-8

N-(furan-2-ylmethyl)-3,4-dimethylaniline

  • Product code: SSC-142640
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 356092-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

356092-19-8 / N-(furan-2-ylmethyl)-3,4-dimethylaniline

Standard CAS: 356092-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
356092-19-8
Multi CAS
No
Molecular Formula
C13H15NO
Molecular Weight
201.260000
Exact Mass
201.115364
InChI
InChI=1S/C13H15NO/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-13/h3-8,14H,9H2,1-2H3
InChIKey
SPXKYWDKBVGKMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.95
TPSA
25.17

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
3.2
Consensus LogP
3.27
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-1.46

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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