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CAS 1035806-96-2 (2-methyl-indol-1-yl)-acetic acid ethyl ester molecular structure lightbox
CAS RN: 1035806-96-2

(2-methyl-indol-1-yl)-acetic acid ethyl ester

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250714 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250825 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250923 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260403 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250921 5g Out of stock Inquiry
  • Product code: SSC-005153
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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 1035806-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1035806-96-2 / ethyl 2-(2-methylindol-1-yl)acetate

Ethyl 2-(2-methyl-1H-indol-1-yl)acetate | (2-methyl-indol-1-yl)-acetic acid ethyl ester | ethyl 2-(2-methylindol-1-yl)acetate

Standard CAS: 1035806-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1035806-96-2
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
CCOC(=O)CN1C(=CC2=CC=CC=C21)C
InChI
InChI=1S/C13H15NO2/c1-3-16-13(15)9-14-10(2)8-11-6-4-5-7-12(11)14/h4-8H,3,9H2,1-2H3
InChIKey
YHJXNQJWZCNUAH-UHFFFAOYSA-N
Synonyms
Ethyl 2-(2-methyl-1H-indol-1-yl)acetate (2-methyl-indol-1-yl)-acetic acid ethyl ester ethyl 2-(2-methylindol-1-yl)acetate MFCD11183529 ethyl (2-methyl-1H-indol-1-yl)acetate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
63.31
TPSA
31.23

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.26

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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