[email protected]
CAS 946518-60-1 LY2409881 trihydrochloride molecular structure lightbox
CAS RN: 946518-60-1

LY2409881 trihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS946518-60-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

946518-60-1 / 2-[5-chloro-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide;trihydrochloride

Standard CAS: 946518-60-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
946518-60-1
Multi CAS
Yes
Molecular Formula
C24H32CL4N6OS
Molecular Weight
594.400000
Exact Mass
594.108291
InChI
InChI=1S/C24H29ClN6OS.3ClH/c1-30-10-12-31(13-11-30)9-3-8-26-24-27-15-19(25)22(29-24)21-14-18-17(4-2-5-20(18)33-21)23(32)28-16-6-7-16;;;/h2,4-5,14-16H,3,6-13H2,1H3,(H,28,32)(H,26,27,29);3*1H
InChIKey
IEXCRLAGBWKVPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
15
Fraction Csp3
0.46
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
157.14
TPSA
73.39

LogP / Solubility

WLOGP
5.22
MLOGP
4.64
XLogP3
5.22
Consensus LogP
5.03
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
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)
-2.64

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