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CAS 58467-94-0 N-((1E,3E)-3-(phenylimino)prop-1-en-1-yl)aniline hydrochloride molecular structure lightbox
CAS RN: 58467-94-0

N-((1E,3E)-3-(phenylimino)prop-1-en-1-yl)aniline hydrochloride

  • Product code: SSC-166701
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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: 100g
  • Available purity: ＞97%
  • 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 58467-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

58467-94-0 / N-(3-phenyliminoprop-1-enyl)aniline;hydrochloride

Standard CAS: 58467-94-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58467-94-0
Multi CAS
Yes
Molecular Formula
C15H15CLN2
Molecular Weight
258.740000
Exact Mass
258.092376
InChI
InChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13?;
InChIKey
PBKBURVPAHHUIK-AVUWLFEKSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.05
TPSA
24.39

LogP / Solubility

WLOGP
4.44
MLOGP
3.91
XLogP3
4.44
Consensus LogP
4.26
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

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

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