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CAS 24279-74-1 2-CHLORO-1-METHYL-1H-INDOLE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 24279-74-1

2-CHLORO-1-METHYL-1H-INDOLE-3-CARBALDEHYDE

  • Product code: SSC-118431
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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: ＞97%
  • 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 24279-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

24279-74-1 / 2-chloro-1-methylindole-3-carbaldehyde

Standard CAS: 24279-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24279-74-1
Multi CAS
No
Molecular Formula
C10H8ClNO
Molecular Weight
193.630000
Exact Mass
193.029442
SMILES
CN1C2=CC=CC=C2C(=C1Cl)C=O
InChI
InChI=1S/C10H8ClNO/c1-12-9-5-3-2-4-7(9)8(6-13)10(12)11/h2-6H,1H3
InChIKey
HUVIBKTZVLYGIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.32
TPSA
22

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.02

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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