[email protected]
CAS 2414285-40-6 Sivopixant molecular structure lightbox
CAS RN: 2414285-40-6

Sivopixant

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260308 5mg / 25mg Out of stock 720 business days Inquiry
  • Product code: starshine_CAS2414285-40-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2414285-40-6 / (2S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid

Standard CAS: 2414285-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2414285-40-6
Multi CAS
No
Molecular Formula
C25H22ClN5O5
Molecular Weight
507.900000
Exact Mass
507.130947
SMILES
C[C@@H](CN1C(=O)N=C(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)OC4=CC=CC=N4)C(=O)O
InChI
InChI=1S/C25H22ClN5O5/c1-16(22(32)33)14-31-24(34)29-23(30(25(31)35)15-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-13-27-21/h2-13,16H,14-15H2,1H3,(H,32,33)(H,28,29,34)/t16-/m0/s1
InChIKey
SKZQFKBIJUXXCG-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.16
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
134.15
TPSA
128.34

LogP / Solubility

WLOGP
3.76
MLOGP
3.34
XLogP3
3.8
Consensus LogP
3.63
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us