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CAS 500024-78-2 3-CHLORO-N-HYDROXY-4-METHYL-BENZAMIDINE molecular structure lightbox
CAS RN: 500024-78-2

3-CHLORO-N-HYDROXY-4-METHYL-BENZAMIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS500024-78-2
  • Purity/Analytical Methods: >99.0%
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500024-78-2 / 3-chloro-N'-hydroxy-4-methylbenzenecarboximidamide

Standard CAS: 500024-78-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500024-78-2
Multi CAS
Yes
Molecular Formula
C8H9CLN2O
Molecular Weight
184.620000
Exact Mass
184.040341
InChI
InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)8(10)11-12/h2-4,12H,1H3,(H2,10,11)
InChIKey
NHKXIPZPDSEYIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.7
TPSA
58.61

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
2.7
Consensus LogP
1.99
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.61

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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