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CAS 59-63-2 ISOCARBOXAZID (200 MG) molecular structure lightbox
CAS RN: 59-63-2

ISOCARBOXAZID (200 MG)

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 100mg In stock Shanghai Inquiry
Batchno.20260107 10mg In stock Shanghai Inquiry
Batchno.20251018 1mg In stock Shanghai Inquiry
Batchno.20250804 250mg In stock Shanghai Inquiry
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Batchno.20251011 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS59-63-2
  • Purity/Analytical Methods: >99.0%
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59-63-2 / N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide

Standard CAS: 59-63-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59-63-2
Multi CAS
No
Molecular Formula
C12H13N3O2
Molecular Weight
231.250000
Exact Mass
231.100777
InChI
InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
InChIKey
XKFPYPQQHFEXRZ-UHFFFAOYSA-N

Physical Properties

Melting Point
105-106 °C 105 - 106 °C
Boiling Point
394.5ºC at 760 mmHg
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.99
TPSA
67.16

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-3.12

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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