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CAS 23600-83-1 1-(4-PHENYLAMINO-PHENYL)-ETHANONE molecular structure lightbox
CAS RN: 23600-83-1

1-(4-PHENYLAMINO-PHENYL)-ETHANONE

  • Product code: SSC-114851
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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: 0.25g
  • 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 23600-83-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

23600-83-1 / 1-(4-anilinophenyl)ethanone

Standard CAS: 23600-83-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23600-83-1
Multi CAS
No
Molecular Formula
C14H13NO
Molecular Weight
211.260000
Exact Mass
211.099714
SMILES
CC(=O)C1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C14H13NO/c1-11(16)12-7-9-14(10-8-12)15-13-5-3-2-4-6-13/h2-10,15H,1H3
InChIKey
RMKSGKAEMOQBMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.17
TPSA
29.1

LogP / Solubility

WLOGP
3.63
MLOGP
3.2
XLogP3
2.9
Consensus LogP
3.24
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.43

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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