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CAS 495-54-5 2,4-DIAMINOAZOBENZENE molecular structure lightbox
CAS RN: 495-54-5

2,4-DIAMINOAZOBENZENE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS495-54-5
  • Purity/Analytical Methods: >99.0%
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495-54-5 / 4-phenyldiazenylbenzene-1,3-diamine

Standard CAS: 495-54-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
495-54-5
Multi CAS
Yes
Molecular Formula
C12H12N4
Molecular Weight
212.250000
Exact Mass
212.106196
InChI
InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2
InChIKey
IWRVPXDHSLTIOC-UHFFFAOYSA-N

Physical Properties

Melting Point
118-118.5 °C Melting point: Decomposes at 235 °C
Boiling Point
2262 °C
Physical Description
Water or Solvent Wet Solid Solid
Appearance
REDDISH-BROWN CRYSTALLINE POWDER Red-brown powder Burgundy crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.88
TPSA
76.76

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
2.3
Consensus LogP
2.82
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-1.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
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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