[email protected]
CAS 334476-64-1 VESTIPITANT MESYLATE molecular structure lightbox
CAS RN: 334476-64-1

VESTIPITANT MESYLATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS334476-64-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

334476-64-1 / (2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide;methanesulfonic acid

Standard CAS: 334476-64-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
334476-64-1
Multi CAS
Yes
Molecular Formula
C24F7H28N3O4S
Molecular Weight
587.600000
Exact Mass
587.168875
InChI
InChI=1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1
InChIKey
BHECXGHXWKHZOY-DXPOFMJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
128.95
TPSA
89.95

LogP / Solubility

WLOGP
5.44
MLOGP
4.83
XLogP3
5.44
Consensus LogP
5.24
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-8.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us