![CAS 893444-36-5 4-chloro-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/893444-36-5.gif)
CAS RN: 893444-36-5
4-chloro-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250803 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS893444-36-5
- Purity/Analytical Methods: >99.0%
893444-36-5 / 4-chloro-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
893444-36-5
Multi CAS
No
Molecular Formula
C7H6CLN3O
Molecular Weight
183.590000
Exact Mass
183.019940
InChI
InChI=1S/C7H6ClN3O/c8-6-4-1-2-5(12)11-7(4)10-3-9-6/h3H,1-2H2,(H,9,10,11,12)
InChIKey
ZGSVPRBKVXSXJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.99
TPSA
54.88
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
0.6
Consensus LogP
0.83
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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