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CAS 120210-48-2 TENIDAP molecular structure lightbox
CAS RN: 120210-48-2

TENIDAP

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Batchno.20250131 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS120210-48-2
  • Purity/Analytical Methods: >99.0%
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120210-48-2 / 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide

TENIDAP | CP-66248 | CP 66248

Standard CAS: 120210-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
120210-48-2
Multi CAS
No
Molecular Formula
C14H9ClN2O3S
Molecular Weight
320.800000
Exact Mass
320.002241
SMILES
C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O
InChI
InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
InChIKey
IZSFDUMVCVVWKW-UHFFFAOYSA-N
Synonyms
TENIDAP CP-66248 CP 66248 CP-66,248 (Z)-5-Chloro-3-(alpha-hydroxy-2-thenylidene)-2-oxo-1-indolinecarboxamide

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.35
TPSA
85.32

LogP / Solubility

WLOGP
3.22
MLOGP
2.85
XLogP3
3.8
Consensus LogP
3.29
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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