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CAS 7612-98-8 4-(Dimethylamino)azobenzene 4′-Isothiocyanate molecular structure lightbox
CAS RN: 7612-98-8

4-(Dimethylamino)azobenzene 4′-Isothiocyanate

  • Product code: SSC-185561
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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: ＞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 7612-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

7612-98-8 / 4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline

Standard CAS: 7612-98-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7612-98-8
Multi CAS
Yes
Molecular Formula
C15H14N4S
Molecular Weight
282.400000
Exact Mass
282.093918
InChI
InChI=1S/C15H14N4S/c1-19(2)15-9-7-14(8-10-15)18-17-13-5-3-12(4-6-13)16-11-20/h3-10H,1-2H3
InChIKey
OSWZKAVBSQAVFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
86.07
TPSA
40.32

LogP / Solubility

WLOGP
4.9
MLOGP
4.32
XLogP3
5.7
Consensus LogP
4.97
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

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)
-0.96

Drug-likeness / Medicinal Chemistry

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

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