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CAS 31482-56-1 Disperse Orange 25 molecular structure lightbox
CAS RN: 31482-56-1

Disperse Orange 25

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260608 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS31482-56-1
  • Purity/Analytical Methods: >99.0%
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31482-56-1 / 3-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile

Standard CAS: 31482-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31482-56-1
Multi CAS
No
Molecular Formula
C17H17N5O2
Molecular Weight
323.350000
Exact Mass
323.138225
InChI
InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3
InChIKey
ZSPPPAFDNHYXNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
91.83
TPSA
94.89

LogP / Solubility

WLOGP
4.75
MLOGP
4.19
XLogP3
3.7
Consensus LogP
4.21
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
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)
-1.32

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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