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CAS 105191-13-7 Ethyl 5-cyanoindole-2-carboxylate molecular structure lightbox
CAS RN: 105191-13-7

Ethyl 5-cyanoindole-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260616 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-006909
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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: 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 105191-13-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

105191-13-7 / ethyl 5-cyano-1H-indole-2-carboxylate

Ethyl 5-cyanoindole-2-carboxylate | ethyl 5-cyano-1H-indole-2-carboxylate | MFCD04966999

Standard CAS: 105191-13-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105191-13-7
Multi CAS
Yes
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C#N
InChI
InChI=1S/C12H10N2O2/c1-2-16-12(15)11-6-9-5-8(7-13)3-4-10(9)14-11/h3-6,14H,2H2,1H3
InChIKey
VZSOXWAHGVEQOT-UHFFFAOYSA-N
Synonyms
Ethyl 5-cyanoindole-2-carboxylate ethyl 5-cyano-1H-indole-2-carboxylate MFCD04966999 5-CYANOINDOLE-2-CARBOXYLIC ACID ETHYL ESTER 5-Cyano-1H-indole-2-carboxylic acid ethyl ester

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.97
TPSA
65.88

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.9
Consensus LogP
2.36
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.45

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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