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CAS 118719-16-7 N’-[(1E)-(5-bromo-2-hydroxyphenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide molecular structure lightbox
CAS RN: 118719-16-7

N’-[(1E)-(5-bromo-2-hydroxyphenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 250mg In stock Shanghai Inquiry
Batchno.20250825 25mg Out of stock Inquiry
Batchno.20250902 50mg Out of stock Inquiry
  • Product code: starshine_CAS118719-16-7
  • Purity/Analytical Methods: >99.0%
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118719-16-7 / N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

HMS2742L03 | orb1685577 | ZINC01214269

Standard CAS: 118719-16-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118719-16-7
Multi CAS
Yes
Molecular Formula
C14H13BrN2O3S
Molecular Weight
369.240000
Exact Mass
367.983030
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C14H13BrN2O3S/c1-10-2-5-13(6-3-10)21(19,20)17-16-9-11-8-12(15)4-7-14(11)18/h2-9,17-18H,1H3/b16-9+
InChIKey
PBEIAQYKTXKQGF-CXUHLZMHSA-N
Synonyms
HMS2742L03 orb1685577 ZINC01214269 AKOS030693615 F987520

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.9
TPSA
78.76

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
3.2
Consensus LogP
2.81
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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
Yes
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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