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CAS 2091508-74-4 Ethanone, 1-(3-methoxybicyclo[1.1.1]pent-1-yl)- molecular structure lightbox
CAS RN: 2091508-74-4

Ethanone, 1-(3-methoxybicyclo[1.1.1]pent-1-yl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-098742
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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 2091508-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2091508-74-4 / 1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)ethanone

Standard CAS: 2091508-74-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2091508-74-4
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
CC(=O)C12CC(C1)(C2)OC
InChI
InChI=1S/C8H12O2/c1-6(9)7-3-8(4-7,5-7)10-2/h3-5H2,1-2H3
InChIKey
LSEVMEMXXQZHMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
36.7
TPSA
26.3

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
0.1
Consensus LogP
0.75
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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