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CAS 14805-64-2 NAPHTHALENE-1-CARBOXAMIDINE molecular structure lightbox
CAS RN: 14805-64-2

NAPHTHALENE-1-CARBOXAMIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS14805-64-2
  • Purity/Analytical Methods: >99.0%
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14805-64-2 / naphthalene-1-carboximidamide

Standard CAS: 14805-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14805-64-2
Multi CAS
No
Molecular Formula
C11H10N2
Molecular Weight
170.210000
Exact Mass
170.084398
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=N)N
InChI
InChI=1S/C11H10N2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13)
InChIKey
MELCHBVBYGSSOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
54.96
TPSA
49.87

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2.5
Consensus LogP
2.16
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

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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