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CAS 253124-08-2 2-Propyl-4-(4-pyridylazo)phenol molecular structure lightbox
CAS RN: 253124-08-2

2-Propyl-4-(4-pyridylazo)phenol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 1g In stock Shanghai Inquiry
  • Product code: ICTP1442
  • Purity/Analytical Methods: >98.0%(HPLC)
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253124-08-2 / 2-propyl-4-(pyridin-4-yldiazenyl)phenol

Standard CAS: 253124-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253124-08-2
Multi CAS
No
Molecular Formula
C14H15N3O
Molecular Weight
241.290000
Exact Mass
241.121512
SMILES
CCCC1=C(C=CC(=C1)N=NC2=CC=NC=C2)O
InChI
InChI=1S/C14H15N3O/c1-2-3-11-10-13(4-5-14(11)18)17-16-12-6-8-15-9-7-12/h4-10,18H,2-3H2,1H3
InChIKey
BBXGFZXXADBYAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.51
TPSA
57.84

LogP / Solubility

WLOGP
4.16
MLOGP
3.66
XLogP3
3.6
Consensus LogP
3.81
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24

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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