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CAS 1122-90-3 p-Aminophenyl Arsenoxide molecular structure lightbox
CAS RN: 1122-90-3

p-Aminophenyl Arsenoxide

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250910 10mg In stock Inquiry
Batchno.20250425 5mg Out of stock Inquiry
  • Product code: starshine_CAS1122-90-3
  • Purity/Analytical Methods: >99.0%
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1122-90-3 / 4-arsorosoaniline

4-Aminophenylarsenoxide | Benzenamine, 4-arsenoso- | 4-ARSENOSOBENZENAMINE

Standard CAS: 1122-90-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1122-90-3
Multi CAS
Yes
Molecular Formula
C6H6AsNO
Molecular Weight
183.040000
Exact Mass
182.966533
SMILES
C1=CC(=CC=C1N)[As]=O
InChI
InChI=1S/C6H6AsNO/c8-6-3-1-5(7-9)2-4-6/h1-4H,8H2
InChIKey
VOLTUGUMYQENMY-UHFFFAOYSA-N
Synonyms
4-Aminophenylarsenoxide Benzenamine, 4-arsenoso- 4-ARSENOSOBENZENAMINE ANILINE, p-ARSENOSO- Q80F4IJC71

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.93
TPSA
43.09

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.05
XLogP3
-0.06
Consensus LogP
-0.06
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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