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CAS 132213-65-1 3,6-dibenzyl-2-hydroxy-5-methoxypyrazine molecular structure lightbox
CAS RN: 132213-65-1

3,6-dibenzyl-2-hydroxy-5-methoxypyrazine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS132213-65-1
  • Purity/Analytical Methods: >99.0%
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132213-65-1 / 3,6-dibenzyl-5-methoxy-1H-pyrazin-2-one

Standard CAS: 132213-65-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
132213-65-1
Multi CAS
No
Molecular Formula
C19H18N2O2
Molecular Weight
306.400000
Exact Mass
306.136828
SMILES
COC1=C(NC(=O)C(=N1)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2/c1-23-19-17(13-15-10-6-3-7-11-15)20-18(22)16(21-19)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,22)
InChIKey
HDGSSKSUEFFBRK-UHFFFAOYSA-N

Physical Properties

Melting Point
159 - 161 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.91
TPSA
54.98

LogP / Solubility

WLOGP
2.96
MLOGP
2.62
XLogP3
3
Consensus LogP
2.86
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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