![CAS 552331-44-9 Pyrido[2,3-d]pyrimidine, 4,7-dichloro- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/552331-44-9.gif)
CAS RN: 552331-44-9
Pyrido[2,3-d]pyrimidine, 4,7-dichloro- (9CI)
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.20250523 | 100mg / 250mg / 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS552331-44-9
- Purity/Analytical Methods: >99.0%
552331-44-9 / 4,7-dichloropyrido[2,3-d]pyrimidine
Basic Information
CAS
552331-44-9
Multi CAS
No
Molecular Formula
C7H3CL2N3
Molecular Weight
200.020000
Exact Mass
198.970403
InChI
InChI=1S/C7H3Cl2N3/c8-5-2-1-4-6(9)10-3-11-7(4)12-5/h1-3H
InChIKey
VRXZQRLAIVDILJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
47.35
TPSA
38.67
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.7
Consensus LogP
2.36
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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