[email protected]
CAS 132418-35-0 Setipafant molecular structure lightbox
CAS RN: 132418-35-0

Setipafant

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250322 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS132418-35-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

132418-35-0 / 9-(2-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide

Standard CAS: 132418-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132418-35-0
Multi CAS
No
Molecular Formula
C26H23ClN6O2S
Molecular Weight
519.000000
Exact Mass
518.129173
SMILES
CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=O)NC5=CC=C(C=C5)OC)C(=NC2)C6=CC=CC=C6Cl
InChI
InChI=1S/C26H23ClN6O2S/c1-15-30-31-22-13-28-24(18-5-3-4-6-20(18)27)23-19-11-12-32(14-21(19)36-25(23)33(15)22)26(34)29-16-7-9-17(35-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,34)
InChIKey
DDJKTQDAEYPACV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
22
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
140.89
TPSA
84.64

LogP / Solubility

WLOGP
5.24
MLOGP
4.65
XLogP3
4
Consensus LogP
4.63
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-7.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us