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CAS 5008-48-0 Securinol A molecular structure lightbox
CAS RN: 5008-48-0

Securinol A

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Batchno.20251211 5mg Out of stock Inquiry
  • Product code: starshine_CAS5008-48-0
  • Purity/Analytical Methods: >99.0%
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5008-48-0 / (1R,2S,8S,15R)-15-hydroxy-13-oxa-7-azatetracyclo[6.5.2.01,10.02,7]pentadec-10-en-12-one

Standard CAS: 5008-48-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5008-48-0
Multi CAS
Yes
Molecular Formula
C13H17NO3
Molecular Weight
235.280000
Exact Mass
235.120843
InChI
InChI=1S/C13H17NO3/c15-10-7-13-8(6-12(16)17-13)5-9(10)14-4-2-1-3-11(13)14/h6,9-11,15H,1-5,7H2/t9-,10+,11-,13+/m0/s1
InChIKey
SVHWKXNNRMAUAN-SRRSOLGSSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.77
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.28
TPSA
49.77

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.2
Consensus LogP
0.44
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

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