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CAS 34233-69-7 CLOZAPINE N-OXIDE molecular structure lightbox
CAS RN: 34233-69-7

CLOZAPINE N-OXIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 1mg / 5mg / 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai, Hebei, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS34233-69-7
  • Purity/Analytical Methods: >99.0%
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34233-69-7 / 3-chloro-5-hydroxy-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepine

Standard CAS: 34233-69-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34233-69-7
Multi CAS
Yes
Molecular Formula
C18H19CLN4O
Molecular Weight
342.800000
Exact Mass
342.124739
InChI
InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
InChIKey
OGUCZBIQSYYWEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
95.08
TPSA
42.31

LogP / Solubility

WLOGP
1.81
MLOGP
1.61
XLogP3
2.9
Consensus LogP
2.11
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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