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CAS 104291-63-6 2-formyl-1H-indole-6-carbonitrile molecular structure lightbox
CAS RN: 104291-63-6

2-formyl-1H-indole-6-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-006044
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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: 0.25g
  • 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 104291-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

104291-63-6 / 2-formyl-1H-indole-6-carbonitrile

2-Formyl-1H-indole-6-carbonitrile | MFCD12924835 | SCHEMBL29956442

Standard CAS: 104291-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
104291-63-6
Multi CAS
No
Molecular Formula
C10H6N2O
Molecular Weight
170.170000
Exact Mass
170.048013
SMILES
C1=CC2=C(C=C1C#N)NC(=C2)C=O
InChI
InChI=1S/C10H6N2O/c11-5-7-1-2-8-4-9(6-13)12-10(8)3-7/h1-4,6,12H
InChIKey
GZRGVNQOBGZODJ-UHFFFAOYSA-N
Synonyms
2-Formyl-1H-indole-6-carbonitrile MFCD12924835 SCHEMBL29956442 DTXSID00544010 AKOS016007445

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.4
TPSA
56.65

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.6
Consensus LogP
1.69
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

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

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