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CAS 53552-05-9 (-)-BICUCULLINE METHOCHLORIDE molecular structure lightbox
CAS RN: 53552-05-9

(-)-BICUCULLINE METHOCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS53552-05-9
  • Purity/Analytical Methods: >99.0%
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53552-05-9 / (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one chloride

Standard CAS: 53552-05-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53552-05-9
Multi CAS
Yes
Molecular Formula
C21H20CLNO6
Molecular Weight
417.800000
Exact Mass
417.097915
InChI
InChI=1S/C21H20NO6.ClH/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m1./s1
InChIKey
RLJKFAMYSYWMND-VOMIJIAVSA-M

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
96.71
TPSA
63.22

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.21
XLogP3
-0.27
Consensus LogP
-0.25
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-5.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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