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CAS 486-89-5 ANAGYRINE molecular structure lightbox
CAS RN: 486-89-5

ANAGYRINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS486-89-5
  • Purity/Analytical Methods: >99.0%
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486-89-5 / (10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one

Standard CAS: 486-89-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
486-89-5
Multi CAS
Yes
Molecular Formula
C15H20N2O
Molecular Weight
244.330000
Exact Mass
244.157563
InChI
InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11?,12?,13-/m1/s1
InChIKey
FQEQMASDZFXSJI-WXRRBKDZSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
H-bond acceptors
3
Molar refractivity
70.76
TPSA
25.24

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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