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CAS 878704-24-6 (5-(2-amino-5-methylthiazol-4-yl)indolin-1-yl)(o-tolyl)methanone molecular structure lightbox
CAS RN: 878704-24-6

(5-(2-amino-5-methylthiazol-4-yl)indolin-1-yl)(o-tolyl)methanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS878704-24-6
  • Purity/Analytical Methods: >99.0%
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878704-24-6 / [5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone

Standard CAS: 878704-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
878704-24-6
Multi CAS
No
Molecular Formula
C20H19N3OS
Molecular Weight
349.500000
Exact Mass
349.124883
InChI
InChI=1S/C20H19N3OS/c1-12-5-3-4-6-16(12)19(24)23-10-9-14-11-15(7-8-17(14)23)18-13(2)25-20(21)22-18/h3-8,11H,9-10H2,1-2H3,(H2,21,22)
InChIKey
APOWOPPDDNYYGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.26
TPSA
59.22

LogP / Solubility

WLOGP
4.21
MLOGP
3.72
XLogP3
4.1
Consensus LogP
4.01
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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