![CAS 897360-16-6 7-CHLOROPYRIDO[3,2-D]PYRIMIDIN-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/897360-16-6.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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
897360-16-6 / 7-chloro-4aH-pyrido[3,2-d]pyrimidin-4-one
Basic Information
CAS
897360-16-6
Multi CAS
Yes
Molecular Formula
C7H4CLN3O
Molecular Weight
181.580000
Exact Mass
181.004290
InChI
InChI=1S/C7H4ClN3O/c8-4-1-5-6(9-2-4)7(12)11-3-10-5/h1-3H,(H,10,11,12)
InChIKey
CRWBTPSWGWPGRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
47.15
TPSA
54.15
LogP / Solubility
WLOGP
0.57
MLOGP
0.5
XLogP3
0.2
Consensus LogP
0.42
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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