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CAS 162100-43-8 1H-Indole, 4-chloro-5-Methyl- molecular structure lightbox
CAS RN: 162100-43-8

1H-Indole, 4-chloro-5-Methyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251130 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-069623
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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 162100-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

162100-43-8 / 4-chloro-5-methyl-1H-indole

Standard CAS: 162100-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162100-43-8
Multi CAS
No
Molecular Formula
C9H8ClN
Molecular Weight
165.620000
Exact Mass
165.034527
SMILES
CC1=C(C2=C(C=C1)NC=C2)Cl
InChI
InChI=1S/C9H8ClN/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-5,11H,1H3
InChIKey
PVHWNOJOJCOGOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond donors
1
Molar refractivity
48.05
TPSA
15.79

LogP / Solubility

WLOGP
3.13
MLOGP
2.75
XLogP3
3
Consensus LogP
2.96
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-1.51

Drug-likeness / Medicinal Chemistry

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

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