CAS RN: 110060-70-3
Ethyl 6-(Benzyloxy)benzofuran-2-carboxylate
- Product code: SSC-011313
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, 1g, 5g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
110060-70-3 / ethyl 6-phenylmethoxy-1-benzofuran-2-carboxylate
Ethyl 6-(Benzyloxy)benzofuran-2-carboxylate | MFCD30188512 | 2-Benzofurancarboxylic acid, 6-(phenylmethoxy)-, ethyl ester
Basic Information
CAS
110060-70-3
Multi CAS
No
Molecular Formula
C18H16O4
Molecular Weight
296.300000
Exact Mass
296.104859
SMILES
CCOC(=O)C1=CC2=C(O1)C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H16O4/c1-2-20-18(19)17-10-14-8-9-15(11-16(14)22-17)21-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
VTPLPAMKVRPRIL-UHFFFAOYSA-N
Synonyms
Ethyl 6-(Benzyloxy)benzofuran-2-carboxylate
MFCD30188512
2-Benzofurancarboxylic acid, 6-(phenylmethoxy)-, ethyl ester
ethyl 6-phenylmethoxy-1-benzofuran-2-carboxylate
6-Benzyloxy-benzofuran-2-carboxylic acid ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
82.94
TPSA
48.67
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
4.3
Consensus LogP
4.06
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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