[email protected]
CAS 2413-38-9 Fupentixol dihydrochloride molecular structure lightbox
CAS RN: 2413-38-9

Fupentixol dihydrochloride

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100mg In stock Shanghai Inquiry
Batchno.20251120 1g In stock Shanghai Inquiry
Batchno.20260410 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS2413-38-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2413-38-9 / 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride

Standard CAS: 2413-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2413-38-9
Multi CAS
No
Molecular Formula
C23H27Cl2F3N2OS
Molecular Weight
507.400000
Exact Mass
506.117325
SMILES
C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl
InChI
InChI=1S/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H/b18-5-;;
InChIKey
IOVDQEIIMOZNNA-MHKBYHAFSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
128.17
TPSA
26.71

LogP / Solubility

WLOGP
5.45
MLOGP
4.83
XLogP3
5.45
Consensus LogP
5.24
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us