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CAS 66217-10-5 6-AMIDINO-2-NAPHTHOL, HYDROCHLORIDE molecular structure lightbox
CAS RN: 66217-10-5

6-AMIDINO-2-NAPHTHOL, HYDROCHLORIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS66217-10-5
  • Purity/Analytical Methods: >99.0%
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66217-10-5 / [amino-(6-hydroxynaphthalen-2-yl)methylidene]azanium chloride

Standard CAS: 66217-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66217-10-5
Multi CAS
Yes
Molecular Formula
C11H11CLN2O
Molecular Weight
222.670000
Exact Mass
222.055991
InChI
InChI=1S/C11H10N2O.ClH/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9;/h1-6,14H,(H3,12,13);1H
InChIKey
KBWZRPUJAXDYOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
3
Molar refractivity
55.83
TPSA
71.84

LogP / Solubility

WLOGP
-2.99
MLOGP
-2.63
XLogP3
-2.99
Consensus LogP
-2.87
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.25
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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