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CAS 5610-40-2 SECURININE molecular structure lightbox
CAS RN: 5610-40-2

SECURININE

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 100mg Out of stock Inquiry
Batchno.20250812 1mg In stock Shanghai Inquiry
Batchno.20251125 25mg Out of stock Inquiry
Batchno.20251118 50mg Out of stock Inquiry
Batchno.20251222 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS5610-40-2
  • Purity/Analytical Methods: >99.0%
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5610-40-2 / (1S,2R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

Standard CAS: 5610-40-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5610-40-2
Multi CAS
Yes
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
InChI
InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10?,11-,13+/m1/s1
InChIKey
SWZMSZQQJRKFBP-ZNVNOEFISA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.62
H-bond acceptors
3
Molar refractivity
58.8
TPSA
29.54

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.1
Consensus LogP
1.25
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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