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CAS 50909-86-9 COELENTERAZINE H molecular structure lightbox
CAS RN: 50909-86-9

COELENTERAZINE H

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS50909-86-9
  • Purity/Analytical Methods: >99.0%
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50909-86-9 / 2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol

Standard CAS: 50909-86-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50909-86-9
Multi CAS
Yes
Molecular Formula
C26H21N3O2
Molecular Weight
407.500000
Exact Mass
407.163377
InChI
InChI=1S/C26H21N3O2/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19/h1-14,17,30-31H,15-16H2
InChIKey
MGTUVUVRFJVHAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
27
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
120.25
TPSA
70.65

LogP / Solubility

WLOGP
4.99
MLOGP
4.42
XLogP3
5.9
Consensus LogP
5.1
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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