![CAS 145733-62-6 8-[(4-Bromophenyl)methyl]-5,8-dihydro-2,4-dimethylpyrido[2,3-d]pyrimidin-7(6H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145733-62-6.gif)
CAS RN: 145733-62-6
8-[(4-Bromophenyl)methyl]-5,8-dihydro-2,4-dimethylpyrido[2,3-d]pyrimidin-7(6H)-one
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.20251223 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS145733-62-6
- Purity/Analytical Methods: >99.0%
145733-62-6 / 8-[(4-bromophenyl)methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
145733-62-6
Multi CAS
No
Molecular Formula
C16H16BrN3O
Molecular Weight
346.220000
Exact Mass
345.047670
SMILES
CC1=C2CCC(=O)N(C2=NC(=N1)C)CC3=CC=C(C=C3)Br
InChI
InChI=1S/C16H16BrN3O/c1-10-14-7-8-15(21)20(16(14)19-11(2)18-10)9-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3
InChIKey
RIGIQZIXVFCURM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
85.16
TPSA
46.09
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
2.8
Consensus LogP
3.03
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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