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CAS 21523-62-6 2,3-DIMETHYL-1 H-INDOLE-5-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 21523-62-6

2,3-DIMETHYL-1 H-INDOLE-5-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-103145
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21523-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

21523-62-6 / ethyl 2,3-dimethyl-1H-indole-5-carboxylate

Standard CAS: 21523-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21523-62-6
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
CCOC(=O)C1=CC2=C(C=C1)NC(=C2C)C
InChI
InChI=1S/C13H15NO2/c1-4-16-13(15)10-5-6-12-11(7-10)8(2)9(3)14-12/h5-7,14H,4H2,1-3H3
InChIKey
VQDRHZVLRCGSFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.73
TPSA
42.09

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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