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CAS 194278-43-8 Ethyl benzofuran-3-carboxylate molecular structure lightbox
CAS RN: 194278-43-8

Ethyl benzofuran-3-carboxylate

  • Product code: SSC-091706
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 194278-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

194278-43-8 / ethyl 1-benzofuran-3-carboxylate

Standard CAS: 194278-43-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
194278-43-8
Multi CAS
No
Molecular Formula
C11H10O3
Molecular Weight
190.190000
Exact Mass
190.062994
SMILES
CCOC(=O)C1=COC2=CC=CC=C21
InChI
InChI=1S/C11H10O3/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKey
JNLHHFVLQDYFFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.17
TPSA
39.44

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
3.3
Consensus LogP
2.74
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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