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CAS 4880-88-0 (-)-EBURNAMONINE molecular structure lightbox
CAS RN: 4880-88-0

(-)-EBURNAMONINE

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 100mg In stock Shanghai Inquiry
Batchno.20250710 1g In stock Shanghai Inquiry
Batchno.20250713 250mg In stock Shanghai Inquiry
Batchno.20260320 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS4880-88-0
  • Purity/Analytical Methods: >99.0%
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4880-88-0 / 15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one

Standard CAS: 4880-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4880-88-0
Multi CAS
Yes
Molecular Formula
C19H22N2O
Molecular Weight
294.400000
Exact Mass
294.173213
InChI
InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
InChIKey
WYJAPUKIYAZSEM-MOPGFXCFSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
87.16
TPSA
25.24

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
3
Consensus LogP
3.37
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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