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CAS 31911-20-3 7-Amino-3-(1H-benzimidazol-2-yl)-2H-chromen-2-one molecular structure lightbox
CAS RN: 31911-20-3

7-Amino-3-(1H-benzimidazol-2-yl)-2H-chromen-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS31911-20-3
  • Purity/Analytical Methods: >99.0%
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31911-20-3 / 7-amino-3-(1H-benzimidazol-2-yl)chromen-2-one

Standard CAS: 31911-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31911-20-3
Multi CAS
No
Molecular Formula
C16H11N3O2
Molecular Weight
277.280000
Exact Mass
277.085127
InChI
InChI=1S/C16H11N3O2/c17-10-6-5-9-7-11(16(20)21-14(9)8-10)15-18-12-3-1-2-4-13(12)19-15/h1-8H,17H2,(H,18,19)
InChIKey
ZUFWLOZTRYDTFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
81.98
TPSA
84.91

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.5
Consensus LogP
2.67
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-2.34

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
3

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