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CAS 119647-73-3 ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate molecular structure lightbox
CAS RN: 119647-73-3

ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100mg In stock Shanghai Inquiry
Batchno.20250402 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250327 1g In stock Shanghai Inquiry
Batchno.20260105 250mg In stock Shanghai Inquiry
  • Product code: SSC-020326
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 119647-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 5 In Stock Beijing Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Hong Kong Inquiry

119647-73-3 / ethyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate

ethyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate | RefChem:596036 | 814-767-1

Standard CAS: 119647-73-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119647-73-3
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
CCOC(=O)C1=CC2=C(N1)C(=O)CCC2
InChI
InChI=1S/C11H13NO3/c1-2-15-11(14)8-6-7-4-3-5-9(13)10(7)12-8/h6,12H,2-5H2,1H3
InChIKey
FRUNPDDVIUSYEQ-UHFFFAOYSA-N
Synonyms
ethyl 7-oxo-1,4,5,6-tetrahydroindole-2-carboxylate RefChem:596036 814-767-1 ethyl 7-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate MFCD03865893

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.02
TPSA
59.16

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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