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CAS 97820-51-4 1H-Indole,5-(1-methylethyl)-(9CI) molecular structure lightbox
CAS RN: 97820-51-4

1H-Indole,5-(1-methylethyl)-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-212381
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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 97820-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

97820-51-4 / 5-propan-2-yl-1H-indole

Standard CAS: 97820-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97820-51-4
Multi CAS
No
Molecular Formula
C11H13N
Molecular Weight
159.230000
Exact Mass
159.104799
InChI
InChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,12H,1-2H3
InChIKey
LBVLQBYXKBTHJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond donors
1
Molar refractivity
52.39
TPSA
15.79

LogP / Solubility

WLOGP
3.29
MLOGP
2.89
XLogP3
3.4
Consensus LogP
3.19
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.35

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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