![CAS 62458-92-8 2-AMino-7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyriMidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62458-92-8.gif)
CAS RN: 62458-92-8
2-AMino-7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyriMidin-4-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250614 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS62458-92-8
- Purity/Analytical Methods: >99.0%
62458-92-8 / 2-amino-7-benzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
Basic Information
CAS
62458-92-8
Multi CAS
Yes
Molecular Formula
C14H16N4O
Molecular Weight
256.300000
Exact Mass
256.132411
InChI
InChI=1S/C14H16N4O/c15-14-16-12-9-18(7-6-11(12)13(19)17-14)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,15,16,17,19)
InChIKey
PUDMEXIJNZOGIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.53
TPSA
75.01
LogP / Solubility
WLOGP
0.91
MLOGP
0.81
XLogP3
0.1
Consensus LogP
0.61
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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