CAS RN: 1883429-21-7
BI-7273
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5 package records5 with current stock2 grade groups
- Product code: starshine_CAS1883429-21-7
- Purity/Analytical Methods: >99.0%
1883429-21-7 / 4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
Basic Information
CAS
1883429-21-7
Multi CAS
No
Molecular Formula
C20H23N3O3
Molecular Weight
353.400000
Exact Mass
353.173942
SMILES
CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)C)OC
InChI
InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
InChIKey
RBUYFHLQNPJMQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
102.92
TPSA
56.59
LogP / Solubility
WLOGP
2.68
MLOGP
2.38
XLogP3
1.4
Consensus LogP
2.15
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1883460-37-4 2,2′-(4,8-Bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883460-37-4.gif)
