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CAS 546-06-5 CONESSINE molecular structure lightbox
CAS RN: 546-06-5

CONESSINE

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8 package records5 with current stock2 grade groups
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Batchno.20250130 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS546-06-5
  • Purity/Analytical Methods: >99.0%
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546-06-5 / N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine

Standard CAS: 546-06-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
546-06-5
Multi CAS
Yes
Molecular Formula
C24H40N2
Molecular Weight
356.600000
Exact Mass
356.319149
InChI
InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3
InChIKey
GPLGAQQQNWMVMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
109.09
TPSA
6.48

LogP / Solubility

WLOGP
4.81
MLOGP
4.25
XLogP3
4.9
Consensus LogP
4.65
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.48

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
8.5

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