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CAS 103-18-4 4-[(4-aminophenyl)azo]phenol molecular structure lightbox
CAS RN: 103-18-4

4-[(4-aminophenyl)azo]phenol

  • Product code: SSC-004380
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 103-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

103-18-4 / 4-[(4-aminophenyl)diazenyl]phenol

4-Amino-4'-hydroxyazobenzene | RefChem:198612 | 4-[(4-aminophenyl)azo]phenol

Standard CAS: 103-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103-18-4
Multi CAS
No
Molecular Formula
C12H11N3O
Molecular Weight
213.230000
Exact Mass
213.090212
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)O
InChI
InChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2
InChIKey
NCKPQOUTAMSEAO-UHFFFAOYSA-N
Synonyms
4-Amino-4'-hydroxyazobenzene RefChem:198612 4-[(4-aminophenyl)azo]phenol Phenol, 4-[(4-aminophenyl)azo]- Phenol, p-((p-aminophenyl)azo)-

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
63.14
TPSA
70.97

LogP / Solubility

WLOGP
3.39
MLOGP
2.98
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
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)
-1.61

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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