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CAS 1416352-01-6 1,2,3,4-Tetrahydro-2,6-naphthyridine hydrochloride molecular structure lightbox
CAS RN: 1416352-01-6

1,2,3,4-Tetrahydro-2,6-naphthyridine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250617 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1416352-01-6
  • Purity/Analytical Methods: >99.0%
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1416352-01-6 / 1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride

Standard CAS: 1416352-01-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416352-01-6
Multi CAS
No
Molecular Formula
C8H11ClN2
Molecular Weight
170.640000
Exact Mass
170.061076
SMILES
C1CNCC2=C1C=NC=C2.Cl
InChI
InChI=1S/C8H10N2.ClH/c1-3-9-6-8-2-4-10-5-7(1)8;/h1,3,6,10H,2,4-5H2;1H
InChIKey
BWTPLJQRMBYYDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.9
TPSA
24.92

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1.15
Consensus LogP
1.1
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

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