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CAS 71095-42-6 5-CHLORO-3-METHYLINDOLE molecular structure lightbox
CAS RN: 71095-42-6

5-CHLORO-3-METHYLINDOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-180769
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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: 5g
  • 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 71095-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

71095-42-6 / 5-chloro-3-methyl-1H-indole

Standard CAS: 71095-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71095-42-6
Multi CAS
No
Molecular Formula
C9H8CLN
Molecular Weight
165.620000
Exact Mass
165.034527
InChI
InChI=1S/C9H8ClN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3
InChIKey
MWEBJGCQVFUVQL-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
3.2
Consensus LogP
3.03
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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