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CAS 99277-23-3 Benzamidoximehydrochloride molecular structure lightbox
CAS RN: 99277-23-3

Benzamidoximehydrochloride

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Batchno.20260324 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS99277-23-3
  • Purity/Analytical Methods: >99.0%
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99277-23-3 / N'-hydroxybenzenecarboximidamide;hydrochloride

Standard CAS: 99277-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99277-23-3
Multi CAS
Yes
Molecular Formula
C7H9CLN2O
Molecular Weight
172.610000
Exact Mass
172.040341
InChI
InChI=1S/C7H8N2O.ClH/c8-7(9-10)6-4-2-1-3-5-6;/h1-5,10H,(H2,8,9);1H
InChIKey
CVOJDESLSXPMSK-UHFFFAOYSA-N

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
46.2
TPSA
58.61

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.92

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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