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CAS 74606-53-4 N-noratherosperminine molecular structure lightbox
CAS RN: 74606-53-4

N-noratherosperminine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250323 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS74606-53-4
  • Purity/Analytical Methods: >99.0%
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74606-53-4 / 2-(3,4-dimethoxyphenanthren-1-yl)-N-methylethanamine

Standard CAS: 74606-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74606-53-4
Multi CAS
No
Molecular Formula
C19H21NO2
Molecular Weight
295.400000
Exact Mass
295.157229
InChI
InChI=1S/C19H21NO2/c1-20-11-10-14-12-17(21-2)19(22-3)18-15-7-5-4-6-13(15)8-9-16(14)18/h4-9,12,20H,10-11H2,1-3H3
InChIKey
BRMNMGRFCCRFNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
14
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.19
TPSA
30.49

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
4.2
Consensus LogP
3.77
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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