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CAS 2163060-83-9 WY-135 molecular structure lightbox
CAS RN: 2163060-83-9

WY-135

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250729 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2163060-83-9
  • Purity/Analytical Methods: >99.0%
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2163060-83-9 / 5-chloro-2-N-[2-methoxy-4-[4-[(4-methylpiperazin-1-yl)methyl]triazol-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

Standard CAS: 2163060-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2163060-83-9
Multi CAS
No
Molecular Formula
C28H34ClN9O3S
Molecular Weight
612.100000
Exact Mass
611.219385
SMILES
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4C=C(N=N4)CN5CCN(CC5)C)OC
InChI
InChI=1S/C28H34ClN9O3S/c1-19(2)42(39,40)26-8-6-5-7-24(26)31-27-22(29)16-30-28(33-27)32-23-10-9-21(15-25(23)41-4)38-18-20(34-35-38)17-37-13-11-36(3)12-14-37/h5-10,15-16,18-19H,11-14,17H2,1-4H3,(H2,30,31,32,33)
InChIKey
MYBIYOGYGXIDJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
23
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
12
H-bond donors
2
Molar refractivity
163.06
TPSA
130.4

LogP / Solubility

WLOGP
4.14
MLOGP
3.69
XLogP3
4.2
Consensus LogP
4.01
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.27
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)
-3.52

Drug-likeness / Medicinal Chemistry

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

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