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CAS 118959-44-7 1-methyl-1H-Indole-3-carboxamide molecular structure lightbox
CAS RN: 118959-44-7

1-methyl-1H-Indole-3-carboxamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-019179
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118959-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shanghai Inquiry

118959-44-7 / 1-methylindole-3-carboxamide

1-methyl-1H-indole-3-carboxamide | 1-methylindole-3-carboxamide | DTXSID00356397

Standard CAS: 118959-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118959-44-7
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C10H10N2O/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H2,11,13)
InChIKey
UHQHFXKJFJHBAE-UHFFFAOYSA-N
Synonyms
1-methyl-1H-indole-3-carboxamide 1-methylindole-3-carboxamide DTXSID00356397 RefChem:1055740 DTXCID10307456

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.44
TPSA
48.02

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

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

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