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CAS 83164-93-6 3-(ethylsulfonyl)Benzenamine molecular structure lightbox
CAS RN: 83164-93-6

3-(ethylsulfonyl)Benzenamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS83164-93-6
  • Purity/Analytical Methods: >99.0%
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83164-93-6 / 3-ethylsulfonylaniline

Standard CAS: 83164-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83164-93-6
Multi CAS
No
Molecular Formula
C8H11NO2S
Molecular Weight
185.250000
Exact Mass
185.051050
InChI
InChI=1S/C8H11NO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3
InChIKey
ZCIQLGLOYPISKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.58
TPSA
60.16

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.7
Consensus LogP
0.9
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-3.1

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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