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CAS 83790-87-8 (2-butylbenzofuran-3-yl) (4-methoxyphenyl) ketone molecular structure lightbox
CAS RN: 83790-87-8

(2-butylbenzofuran-3-yl) (4-methoxyphenyl) ketone

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 100mg In stock Shanghai Inquiry
Batchno.20260417 1g Out of stock Inquiry
Batchno.20250904 250mg Out of stock Inquiry
  • Product code: SSC-191491
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 83790-87-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

83790-87-8 / (2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

Standard CAS: 83790-87-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83790-87-8
Multi CAS
No
Molecular Formula
C20H20O3
Molecular Weight
308.400000
Exact Mass
308.141245
InChI
InChI=1S/C20H20O3/c1-3-4-8-18-19(16-7-5-6-9-17(16)23-18)20(21)14-10-12-15(22-2)13-11-14/h5-7,9-13H,3-4,8H2,1-2H3
InChIKey
ZECBGDFBAKHQFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
91.25
TPSA
39.44

LogP / Solubility

WLOGP
5.02
MLOGP
4.43
XLogP3
5.5
Consensus LogP
4.98
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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