![CAS 552331-43-8 7-CHLORO-PYRIDO[2,3-D]PYRIMIDIN-4-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/552331-43-8.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
552331-43-8 / 7-chloro-3H-pyrido[2,3-d]pyrimidin-4-one
Basic Information
CAS
552331-43-8
Multi CAS
No
Molecular Formula
C7H4CLN3O
Molecular Weight
181.580000
Exact Mass
181.004290
InChI
InChI=1S/C7H4ClN3O/c8-5-2-1-4-6(11-5)9-3-10-7(4)12/h1-3H,(H,9,10,11,12)
InChIKey
IGUXDXKIOOOGCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.17
TPSA
58.64
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.9
Consensus LogP
0.91
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.14
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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