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CAS 19350-72-2 N’-(4-methoxybenzylidene)-4- methylbenzenesulfonohydrazide molecular structure lightbox
CAS RN: 19350-72-2

N’-(4-methoxybenzylidene)-4- methylbenzenesulfonohydrazide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250502 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19350-72-2
  • Purity/Analytical Methods: >99.0%
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19350-72-2 / N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

Standard CAS: 19350-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19350-72-2
Multi CAS
No
Molecular Formula
C15H16N2O3S
Molecular Weight
304.400000
Exact Mass
304.088164
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16N2O3S/c1-12-3-9-15(10-4-12)21(18,19)17-16-11-13-5-7-14(20-2)8-6-13/h3-11,17H,1-2H3/b16-11+
InChIKey
RTARYTGUYUAXBK-LFIBNONCSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.09
TPSA
67.76

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.9
Consensus LogP
2.42
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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