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CAS 4177-58-6 Clotixamide molecular structure lightbox
CAS RN: 4177-58-6

Clotixamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4177-58-6
  • Purity/Analytical Methods: >99.0%
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4177-58-6 / 3-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]-N-methylpropanamide

Standard CAS: 4177-58-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4177-58-6
Multi CAS
Yes
Molecular Formula
C24H28CLN3OS
Molecular Weight
442.000000
Exact Mass
441.164161
InChI
InChI=1S/C24H28ClN3OS/c1-26-24(29)10-12-28-15-13-27(14-16-28)11-4-6-19-20-5-2-3-7-22(20)30-23-9-8-18(25)17-21(19)23/h2-3,5-9,17H,4,10-16H2,1H3,(H,26,29)
InChIKey
WXFFTUKVTRHPLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
125.28
TPSA
35.58

LogP / Solubility

WLOGP
4.38
MLOGP
3.88
XLogP3
4.2
Consensus LogP
4.15
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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