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CAS 64928-55-8 1-(2-Aminoethyl)-2,3-dihydro-1h-1,3-benzodiazol-2-one hydrochloride molecular structure lightbox
CAS RN: 64928-55-8

1-(2-Aminoethyl)-2,3-dihydro-1h-1,3-benzodiazol-2-one hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS64928-55-8
  • Purity/Analytical Methods: >99.0%
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64928-55-8 / 3-(2-aminoethyl)-1H-benzimidazol-2-one;hydrochloride

Standard CAS: 64928-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64928-55-8
Multi CAS
Yes
Molecular Formula
C9H12CLN3O
Molecular Weight
213.660000
Exact Mass
213.066890
InChI
InChI=1S/C9H11N3O.ClH/c10-5-6-12-8-4-2-1-3-7(8)11-9(12)13;/h1-4H,5-6,10H2,(H,11,13);1H
InChIKey
VFQPYJTVVDTJSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.86
TPSA
63.81

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-3.52

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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