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CAS 1463-60-1 1H-Indole-2-carboxaldehyde, 5-methyl- (9CI) molecular structure lightbox
CAS RN: 1463-60-1

1H-Indole-2-carboxaldehyde, 5-methyl- (9CI)

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251104 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250210 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251004 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250905 5g In stock Shanghai Inquiry
  • Product code: SSC-057378
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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: 1g
  • 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 1463-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1463-60-1 / 5-methyl-1H-indole-2-carbaldehyde

Standard CAS: 1463-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1463-60-1
Multi CAS
No
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
SMILES
CC1=CC2=C(C=C1)NC(=C2)C=O
InChI
InChI=1S/C10H9NO/c1-7-2-3-10-8(4-7)5-9(6-12)11-10/h2-6,11H,1H3
InChIKey
ZNQPHKBPSUZRAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.42
TPSA
32.86

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.07

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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