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CAS 1195196-49-6 N’-HydroxybenziMidaMide molecular structure lightbox
CAS RN: 1195196-49-6

N’-HydroxybenziMidaMide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1195196-49-6
  • Purity/Analytical Methods: >99.0%
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1195196-49-6 / N'-hydroxybenzenecarboximidamide;hydrobromide

N-Hydroxy-benzamidine | (E)-N'-Hydroxybenzimidamide | N'-Hydroxybenzenecarboximidamide

Standard CAS: 1195196-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1195196-49-6
Multi CAS
Yes
Molecular Formula
C7H9BrN2O
Molecular Weight
217.060000
Exact Mass
215.989830
SMILES
C1=CC=C(C=C1)/C(=N/O)/N.Br
InChI
InChI=1S/C7H8N2O.BrH/c8-7(9-10)6-4-2-1-3-5-6;/h1-5,10H,(H2,8,9);1H
InChIKey
XHVJSUZVSQISRA-UHFFFAOYSA-N
Synonyms
N-Hydroxy-benzamidine (E)-N'-Hydroxybenzimidamide N'-Hydroxybenzenecarboximidamide MFCD00474011 ben-zamide oxime

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.27
TPSA
58.61

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-3.08

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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