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CAS 83-63-6 N,N-Diacetyl-o-aminoazotoluene molecular structure lightbox
CAS RN: 83-63-6

N,N-Diacetyl-o-aminoazotoluene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 5g Out of stock 5-7 business days Inquiry
  • Product code: ICTD0063
  • Purity/Analytical Methods: >90.0%(HPLC)
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83-63-6 / N-acetyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]acetamide

Standard CAS: 83-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83-63-6
Multi CAS
Yes
Molecular Formula
C18H19N3O2
Molecular Weight
309.400000
Exact Mass
309.147727
InChI
InChI=1S/C18H19N3O2/c1-12-7-5-6-8-17(12)20-19-16-9-10-18(13(2)11-16)21(14(3)22)15(4)23/h5-11H,1-4H3
InChIKey
YIEDSISPYKQADU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
90.38
TPSA
62.1

LogP / Solubility

WLOGP
4.62
MLOGP
4.08
XLogP3
3.6
Consensus LogP
4.1
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33

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
2.5

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