CAS RN: 67767-38-8

10-Ethyl-3,7,8-trimethyl-benzo[g]pteridine-2,4(3H,10H)-dione

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8 package records5 with current stock3 grade groups
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  • Product code: starshine_CAS67767-38-8
  • Purity/Analytical Methods: >99.0%
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67767-38-8 / 10-ethyl-3,7,8-trimethylbenzo[g]pteridine-2,4-dione

Standard CAS: 67767-38-8 Multi CAS: No

Basic Information

CAS
67767-38-8
Multi CAS
No
Molecular Formula
C15H16N4O2
Molecular Weight
284.310000
Exact Mass
284.127326
InChI
InChI=1S/C15H16N4O2/c1-5-19-11-7-9(3)8(2)6-10(11)16-12-13(19)17-15(21)18(4)14(12)20/h6-7H,5H2,1-4H3
InChIKey
FMSUGHVGTYMDRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
80.81
TPSA
69.78

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
1.6
Consensus LogP
1.31
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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