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CAS 156297-92-6 Ethyl 4-Methoxy-2,3-dihydrobenzofuran-6-carboxylate molecular structure lightbox
CAS RN: 156297-92-6

Ethyl 4-Methoxy-2,3-dihydrobenzofuran-6-carboxylate

  • Product code: SSC-065315
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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, 10g
  • 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 156297-92-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

156297-92-6 / ethyl 4-methoxy-2,3-dihydro-1-benzofuran-6-carboxylate

Standard CAS: 156297-92-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156297-92-6
Multi CAS
No
Molecular Formula
C12H14O4
Molecular Weight
222.240000
Exact Mass
222.089209
SMILES
CCOC(=O)C1=CC2=C(CCO2)C(=C1)OC
InChI
InChI=1S/C12H14O4/c1-3-15-12(13)8-6-10(14-2)9-4-5-16-11(9)7-8/h6-7H,3-5H2,1-2H3
InChIKey
OVFRTBHSVOGGQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
58.15
TPSA
44.76

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.79

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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