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CAS 54809-74-4 oxysophoridine molecular structure lightbox
CAS RN: 54809-74-4

oxysophoridine

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 100mg In stock Shanghai Inquiry
Batchno.20250729 1g Out of stock Inquiry
Batchno.20250415 250mg In stock Shanghai Inquiry
  • Product code: SSC-162642
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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: 0.25g
  • 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 54809-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

54809-74-4 / (1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

Standard CAS: 54809-74-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54809-74-4
Multi CAS
Yes
Molecular Formula
C15H24N2O2
Molecular Weight
264.360000
Exact Mass
264.183778
InChI
InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12-,13-,15+,17?/m1/s1
InChIKey
XVPBINOPNYFXID-ACTGZQEFSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
H-bond acceptors
2
Molar refractivity
71.95
TPSA
43.37

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
1
Consensus LogP
1.52
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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