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CAS 480-81-9 Seneciphylline molecular structure lightbox
CAS RN: 480-81-9

Seneciphylline

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5 package records4 with current stock2 grade groups
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Batchno.20260214 5mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS480-81-9
  • Purity/Analytical Methods: >99.0%
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480-81-9 / (1R,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Standard CAS: 480-81-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
480-81-9
Multi CAS
Yes
Molecular Formula
C18H23NO5
Molecular Weight
333.400000
Exact Mass
333.157623
InChI
InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18-/m1/s1
InChIKey
FCEVNJIUIMLVML-IIDMSEBBSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.56
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.04
TPSA
76.07

LogP / Solubility

WLOGP
1.11
MLOGP
1
XLogP3
0.7
Consensus LogP
0.94
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.75
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)
-3.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5

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