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CAS 1796-37-8 Indole-2-carboxaldehyde, 7-methyl- (7CI,8CI) molecular structure lightbox
CAS RN: 1796-37-8

Indole-2-carboxaldehyde, 7-methyl- (7CI,8CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 1g Out of stock 15 business days Inquiry
  • Product code: SSC-080016
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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: 0.1g
  • 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 1796-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1796-37-8 / 7-methyl-1H-indole-2-carbaldehyde

Standard CAS: 1796-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1796-37-8
Multi CAS
No
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
SMILES
CC1=C2C(=CC=C1)C=C(N2)C=O
InChI
InChI=1S/C10H9NO/c1-7-3-2-4-8-5-9(6-12)11-10(7)8/h2-6,11H,1H3
InChIKey
WEAKVBPGCWZRSD-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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