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CAS 113143-13-8 (E)-N’-((1H-indol-3-yl)methylene)thiophene-2-carbohydrazide molecular structure lightbox
CAS RN: 113143-13-8

(E)-N’-((1H-indol-3-yl)methylene)thiophene-2-carbohydrazide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251013 25mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS113143-13-8
  • Purity/Analytical Methods: >99.0%
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113143-13-8 / N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide

CBDivE_008790 | orb1744408 | HMS2809C09

Standard CAS: 113143-13-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113143-13-8
Multi CAS
Yes
Molecular Formula
C14H11N3OS
Molecular Weight
269.320000
Exact Mass
269.062283
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=CC=CS3
InChI
InChI=1S/C14H11N3OS/c18-14(13-6-3-7-19-13)17-16-9-10-8-15-12-5-2-1-4-11(10)12/h1-9,15H,(H,17,18)/b16-9+
InChIKey
FMKAYIUNMIHSEK-CXUHLZMHSA-N
Synonyms
CBDivE_008790 orb1744408 HMS2809C09 AKOS030747448

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.68
TPSA
57.25

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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