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CAS 4273-98-7 2-Aminophenyl Phenyl Sulfone molecular structure lightbox
CAS RN: 4273-98-7

2-Aminophenyl Phenyl Sulfone

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 25g In stock Inquiry
Batchno.20250123 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTA1857
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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4273-98-7 / 2-(benzenesulfonyl)aniline

Standard CAS: 4273-98-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4273-98-7
Multi CAS
Yes
Molecular Formula
C12H11NO2S
Molecular Weight
233.290000
Exact Mass
233.051050
InChI
InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2
InChIKey
JBCUKQQIWSWEOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.75
TPSA
60.16

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.65

Drug-likeness / Medicinal Chemistry

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

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