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CAS 1363166-39-5 2-(2,3-Dihydrobenzofuran-5-yl)-N-(5-Methylisoxazol-3-yl)acetaMide molecular structure lightbox
CAS RN: 1363166-39-5

2-(2,3-Dihydrobenzofuran-5-yl)-N-(5-Methylisoxazol-3-yl)acetaMide

  • Product code: SSC-045241
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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: 0.25g, 1g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1363166-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry

1363166-39-5 / 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Standard CAS: 1363166-39-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363166-39-5
Multi CAS
No
Molecular Formula
C14H14N2O3
Molecular Weight
258.270000
Exact Mass
258.100442
SMILES
CC1=CC(=NO1)NC(=O)CC2=CC3=C(C=C2)OCC3
InChI
InChI=1S/C14H14N2O3/c1-9-6-13(16-19-9)15-14(17)8-10-2-3-12-11(7-10)4-5-18-12/h2-3,6-7H,4-5,8H2,1H3,(H,15,16,17)
InChIKey
IFSQXHLLYNOUHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.21
TPSA
64.36

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

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

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