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CAS 107361-33-1 Enazadrem molecular structure lightbox
CAS RN: 107361-33-1

Enazadrem

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS107361-33-1
  • Purity/Analytical Methods: >99.0%
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107361-33-1 / 4,6-dimethyl-2-(6-phenylhexylamino)pyrimidin-5-ol

enazadrem | Enazadrem [INN] | UNII-GDV807GKAD

Standard CAS: 107361-33-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107361-33-1
Multi CAS
No
Molecular Formula
C18H25N3O
Molecular Weight
299.400000
Exact Mass
299.199762
SMILES
CC1=C(C(=NC(=N1)NCCCCCCC2=CC=CC=C2)C)O
InChI
InChI=1S/C18H25N3O/c1-14-17(22)15(2)21-18(20-14)19-13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,22H,3-4,6,9-10,13H2,1-2H3,(H,19,20,21)
InChIKey
NRGYTONERIQIBW-UHFFFAOYSA-N
Synonyms
enazadrem Enazadrem [INN] UNII-GDV807GKAD GDV807GKAD CP-70490

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.27
TPSA
58.04

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4.7
Consensus LogP
4.08
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
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)
-1.7

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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