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CAS 67503-46-2 Phenylazoresorcinol molecular structure lightbox
CAS RN: 67503-46-2

Phenylazoresorcinol

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250331 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 1g Out of stock Inquiry
Batchno.20250401 25g Out of stock Inquiry
Batchno.20250227 5g Out of stock Inquiry
  • Product code: ICTP0151
  • Purity/Analytical Methods: >80.0%(T)
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67503-46-2 / 3-phenyldiazenyloxyphenol

Standard CAS: 67503-46-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67503-46-2
Multi CAS
Yes
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
InChI
InChI=1S/C12H10N2O2/c15-11-7-4-8-12(9-11)16-14-13-10-5-2-1-3-6-10/h1-9,15H
InChIKey
PNIBLDQXYGIUSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.69
TPSA
54.18

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
3.6
Consensus LogP
3.38
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.56

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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