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CAS 50656-92-3 Vandrikidine molecular structure lightbox
CAS RN: 50656-92-3

Vandrikidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS50656-92-3
  • Purity/Analytical Methods: >99.0%
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50656-92-3 / methyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate

Standard CAS: 50656-92-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50656-92-3
Multi CAS
Yes
Molecular Formula
C22H26N2O4
Molecular Weight
382.500000
Exact Mass
382.189257
InChI
InChI=1S/C22H26N2O4/c1-13(25)21-7-4-9-24-10-8-22(20(21)24)16-6-5-14(27-2)11-17(16)23-18(22)15(12-21)19(26)28-3/h4-7,11,13,20,23,25H,8-10,12H2,1-3H3/t13-,20+,21+,22+/m1/s1
InChIKey
ASAFZNAXYPDIJR-MCLJMYSDSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
105.19
TPSA
71.03

LogP / Solubility

WLOGP
2.2
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.12
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly 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)
-3.49

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
6.5

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