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CAS 72660-98-1 2-(HYDROXYIMINO)-1-((4-METHYLPHENYL)SULFONYL)ETH-2-YLAMINE molecular structure lightbox
CAS RN: 72660-98-1

2-(HYDROXYIMINO)-1-((4-METHYLPHENYL)SULFONYL)ETH-2-YLAMINE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS72660-98-1
  • Purity/Analytical Methods: >99.0%
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72660-98-1 / N'-hydroxy-2-(4-methylphenyl)sulfonylethanimidamide

Standard CAS: 72660-98-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72660-98-1
Multi CAS
Yes
Molecular Formula
C9H12N2O3S
Molecular Weight
228.270000
Exact Mass
228.056863
InChI
InChI=1S/C9H12N2O3S/c1-7-2-4-8(5-3-7)15(13,14)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)
InChIKey
ZPEOWHYBZZPAEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.64
TPSA
92.75

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
0.7
Consensus LogP
0.56
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75

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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