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CAS 1167055-37-9 1H-Indole-4-carboxaldehyde, 7-chloro- molecular structure lightbox
CAS RN: 1167055-37-9

1H-Indole-4-carboxaldehyde, 7-chloro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-016636
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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 1167055-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1167055-37-9 / 7-chloro-1H-indole-4-carbaldehyde

7-Chloro-1H-indole-4-carbaldehyde | 7-Chloro-4-indole carbaldehyde | 1H-Indole-4-carboxaldehyde, 7-chloro-

Standard CAS: 1167055-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1167055-37-9
Multi CAS
No
Molecular Formula
C9H6ClNO
Molecular Weight
179.600000
Exact Mass
179.013792
SMILES
C1=CC(=C2C(=C1C=O)C=CN2)Cl
InChI
InChI=1S/C9H6ClNO/c10-8-2-1-6(5-12)7-3-4-11-9(7)8/h1-5,11H
InChIKey
IREPJTYUCHCYLI-UHFFFAOYSA-N
Synonyms
7-Chloro-1H-indole-4-carbaldehyde 7-Chloro-4-indole carbaldehyde 1H-Indole-4-carboxaldehyde, 7-chloro- MFCD11845604 SCHEMBL673396

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.7
TPSA
32.86

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.1
Consensus LogP
2.35
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-1.95

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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