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CAS 1862238-00-3 Sirt2-IN-1 molecular structure lightbox
CAS RN: 1862238-00-3

Sirt2-IN-1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1862238-00-3
  • Purity/Analytical Methods: >99.0%
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1862238-00-3 / N-[5-[[3-[(1-benzyltriazol-4-yl)methoxy]phenyl]methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

Standard CAS: 1862238-00-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1862238-00-3
Multi CAS
No
Molecular Formula
C28H27N7O2S2
Molecular Weight
557.700000
Exact Mass
557.166765
SMILES
CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC4=CN(N=N4)CC5=CC=CC=C5)C
InChI
InChI=1S/C28H27N7O2S2/c1-19-11-20(2)31-28(30-19)38-18-26(36)32-27-29-14-25(39-27)13-22-9-6-10-24(12-22)37-17-23-16-35(34-33-23)15-21-7-4-3-5-8-21/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,29,32,36)
InChIKey
YWLNYZXFIAFWSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
28
Fraction Csp3
0.21
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
1
Molar refractivity
152.12
TPSA
107.71

LogP / Solubility

WLOGP
5.09
MLOGP
4.52
XLogP3
4.9
Consensus LogP
4.84
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.83
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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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