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CAS 188062-45-5 2-AMINO-5,6,7,8-TETRAHYDRO-3H-PYRIMIDO[4,5-B]INDOL-4(9H)-ONE molecular structure lightbox
CAS RN: 188062-45-5

2-AMINO-5,6,7,8-TETRAHYDRO-3H-PYRIMIDO[4,5-B]INDOL-4(9H)-ONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS188062-45-5
  • Purity/Analytical Methods: >99.0%
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188062-45-5 / 2-amino-3,5,6,7,8,9-hexahydropyrimido[4,5-b]indol-4-one

Standard CAS: 188062-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188062-45-5
Multi CAS
No
Molecular Formula
C10H12N4O
Molecular Weight
204.230000
Exact Mass
204.101111
SMILES
C1CCC2=C(C1)C3=C(N2)N=C(NC3=O)N
InChI
InChI=1S/C10H12N4O/c11-10-13-8-7(9(15)14-10)5-3-1-2-4-6(5)12-8/h1-4H2,(H4,11,12,13,14,15)
InChIKey
ITSNKHKDBCXDGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
57.77
TPSA
87.56

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.5
Consensus LogP
0.61
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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