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CAS 371242-69-2 2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone molecular structure lightbox
CAS RN: 371242-69-2

2-[(6-Amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS371242-69-2
  • Purity/Analytical Methods: >99.0%
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371242-69-2 / 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one

Standard CAS: 371242-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
371242-69-2
Multi CAS
No
Molecular Formula
C22H19N7O
Molecular Weight
397.400000
Exact Mass
397.165108
InChI
InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
InChIKey
GNWHRHGTIBRNSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
25
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
1
Molar refractivity
115.65
TPSA
104.51

LogP / Solubility

WLOGP
2.77
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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
Yes
Log Kp (skin permeation)
-3.18

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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