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CAS 194490-18-1 5-TERT-BUTYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 194490-18-1

5-TERT-BUTYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-091772
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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 194490-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

194490-18-1 / ethyl 5-tert-butyl-1H-indole-2-carboxylate

Standard CAS: 194490-18-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
194490-18-1
Multi CAS
No
Molecular Formula
C15H19NO2
Molecular Weight
245.320000
Exact Mass
245.141579
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(C)(C)C
InChI
InChI=1S/C15H19NO2/c1-5-18-14(17)13-9-10-8-11(15(2,3)4)6-7-12(10)16-13/h6-9,16H,5H2,1-4H3
InChIKey
ULMVLLISCAWCMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.96
TPSA
42.09

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
4.9
Consensus LogP
3.92
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

Drug-likeness / Medicinal Chemistry

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

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