![CAS 2227205-78-7 Pyrido[3,4-d]pyrimidin-8(5H)-one, 2,4-dichloro-6,7-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227205-78-7.gif)
CAS RN: 2227205-78-7
Pyrido[3,4-d]pyrimidin-8(5H)-one, 2,4-dichloro-6,7-dihydro-
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.20251026 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-107471
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 |
2227205-78-7 / 2,4-dichloro-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
Basic Information
CAS
2227205-78-7
Multi CAS
No
Molecular Formula
C7H5Cl2N3O
Molecular Weight
218.040000
Exact Mass
216.980967
SMILES
C1CNC(=O)C2=C1C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C7H5Cl2N3O/c8-5-3-1-2-10-6(13)4(3)11-7(9)12-5/h1-2H2,(H,10,13)
InChIKey
ZKHYPIANAGGIEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.09
TPSA
54.88
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
1.8
Consensus LogP
1.27
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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