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CAS 25967-34-4 Loxapine N-Oxide molecular structure lightbox
CAS RN: 25967-34-4

Loxapine N-Oxide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS25967-34-4
  • Purity/Analytical Methods: >99.0%
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25967-34-4 / 8-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)benzo[b][1,4]benzoxazepine

Standard CAS: 25967-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25967-34-4
Multi CAS
No
Molecular Formula
C18H18ClN3O2
Molecular Weight
343.800000
Exact Mass
343.108755
SMILES
C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl)[O-]
InChI
InChI=1S/C18H18ClN3O2/c1-22(23)10-8-21(9-11-22)18-14-12-13(19)6-7-16(14)24-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChIKey
QUSWANHLDLADDR-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
4
Molar refractivity
95.02
TPSA
47.89

LogP / Solubility

WLOGP
3.78
MLOGP
3.35
XLogP3
2.5
Consensus LogP
3.21
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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