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CAS 52358-58-4 (+)-Erysotramidine molecular structure lightbox
CAS RN: 52358-58-4

(+)-Erysotramidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS52358-58-4
  • Purity/Analytical Methods: >99.0%
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52358-58-4 / (2R,13bS)-2,11,12-trimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one

Standard CAS: 52358-58-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52358-58-4
Multi CAS
Yes
Molecular Formula
C19H21NO4
Molecular Weight
327.400000
Exact Mass
327.147058
InChI
InChI=1S/C19H21NO4/c1-22-14-5-4-13-9-18(21)20-7-6-12-8-16(23-2)17(24-3)10-15(12)19(13,20)11-14/h4-5,8-10,14H,6-7,11H2,1-3H3/t14-,19-/m0/s1
InChIKey
AUDDBHVKKYSXKU-LIRRHRJNSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
89.28
TPSA
48

LogP / Solubility

WLOGP
2.2
MLOGP
1.95
XLogP3
1.5
Consensus LogP
1.88
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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