![CAS 146709-78-6 5,7-DIETHYL-3,4-DIHYDRO-1-[[2′-(1H-TETRAZOL-5-YL)[1,1′-BIPHENYL]-4-YL]METHYL]-1,6-NAPHTHYRIDIN-2(1H)-ONE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/146709-78-6.gif)
CAS RN: 146709-78-6
5,7-DIETHYL-3,4-DIHYDRO-1-[[2′-(1H-TETRAZOL-5-YL)[1,1′-BIPHENYL]-4-YL]METHYL]-1,6-NAPHTHYRIDIN-2(1H)-ONE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250828 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS146709-78-6
- Purity/Analytical Methods: >99.0%
146709-78-6 / 5,7-diethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydro-1,6-naphthyridin-2-one;hydrochloride
Basic Information
CAS
146709-78-6
Multi CAS
No
Molecular Formula
C26H27ClN6O
Molecular Weight
475.000000
Exact Mass
474.193487
SMILES
CCC1=CC2=C(CCC(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=N1)CC.Cl
InChI
InChI=1S/C26H26N6O.ClH/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26;/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31);1H
InChIKey
NAGGAAHTUXEGFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
134.8
TPSA
87.66
LogP / Solubility
WLOGP
4.95
MLOGP
4.39
XLogP3
4.95
Consensus LogP
4.76
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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