CAS RN: 105640-11-7
Ethyl Indane-5-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-007356
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, 5g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 4 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
105640-11-7 / ethyl 2,3-dihydro-1H-indene-5-carboxylate
ethyl 2,3-dihydro-1H-indene-5-carboxylate | RefChem:342183 | Ethyl Indane-5-carboxylate
Basic Information
CAS
105640-11-7
Multi CAS
No
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
SMILES
CCOC(=O)C1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C12H14O2/c1-2-14-12(13)11-7-6-9-4-3-5-10(9)8-11/h6-8H,2-5H2,1H3
InChIKey
MISHXOQPTHQOTJ-UHFFFAOYSA-N
Synonyms
ethyl 2,3-dihydro-1H-indene-5-carboxylate
RefChem:342183
Ethyl Indane-5-carboxylate
MFCD12179700
1H-Indene-5-carboxylic acid, 2,3-dihydro-, ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.42
TPSA
26.3
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
3
Consensus LogP
2.47
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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