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CAS 10078-25-8 PERPHENAZINE SULFOXIDE (100 MG) molecular structure lightbox
CAS RN: 10078-25-8

PERPHENAZINE SULFOXIDE (100 MG)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS10078-25-8
  • Purity/Analytical Methods: >99.0%
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10078-25-8 / 2-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

Perphenazine sulfoxide | UNII-5S6Q9MQ62M | BRN 1230223

Standard CAS: 10078-25-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10078-25-8
Multi CAS
Yes
Molecular Formula
C21H26ClN3O2S
Molecular Weight
420.000000
Exact Mass
419.143426
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)CCO
InChI
InChI=1S/C21H26ClN3O2S/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)28(21)27)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
InChIKey
WXJXTMQMAOYROI-UHFFFAOYSA-N
Synonyms
Perphenazine sulfoxide UNII-5S6Q9MQ62M BRN 1230223 5S6Q9MQ62M ETHAPERAZINE SULFOXIDE

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
114.16
TPSA
47.02

LogP / Solubility

WLOGP
2.96
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501

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