![CAS 89374-52-7 2-mercapto-1-methylpyrido[2,3-d]pyrimidin-4(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89374-52-7.gif)
CAS RN: 89374-52-7
2-mercapto-1-methylpyrido[2,3-d]pyrimidin-4(1H)-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.20260129 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS89374-52-7
- Purity/Analytical Methods: >99.0%
89374-52-7 / 1-methyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
Basic Information
CAS
89374-52-7
Multi CAS
No
Molecular Formula
C8H7N3OS
Molecular Weight
193.230000
Exact Mass
193.030983
InChI
InChI=1S/C8H7N3OS/c1-11-6-5(3-2-4-9-6)7(12)10-8(11)13/h2-4H,1H3,(H,10,12,13)
InChIKey
CDFMUHKVAPCMQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.17
TPSA
50.68
LogP / Solubility
WLOGP
0.99
MLOGP
0.87
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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