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CAS 1300028-91-4 Dibenzothiophen-2-yl-phenyl-amine molecular structure lightbox
CAS RN: 1300028-91-4

Dibenzothiophen-2-yl-phenyl-amine

  • Product code: SSC-036746
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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: 5g
  • 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 1300028-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1300028-91-4 / N-phenyldibenzothiophen-2-amine

Standard CAS: 1300028-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1300028-91-4
Multi CAS
No
Molecular Formula
C18H13NS
Molecular Weight
275.400000
Exact Mass
275.076871
SMILES
C1=CC=C(C=C1)NC2=CC3=C(C=C2)SC4=CC=CC=C43
InChI
InChI=1S/C18H13NS/c1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-12,19H
InChIKey
MZKZCGLQGDKMBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
89.06
TPSA
12.03

LogP / Solubility

WLOGP
5.8
MLOGP
5.11
XLogP3
5.9
Consensus LogP
5.6
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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