CAS RN: 1257051-63-0
THPP-1
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.20250401 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-030938
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: ≥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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1257051-63-0 / [2-(6-chloro-3-pyridinyl)-4-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-imidazo[1,5-a]pyridin-1-ylmethanone
Basic Information
CAS
1257051-63-0
Multi CAS
No
Molecular Formula
C23H21ClN6O3
Molecular Weight
464.900000
Exact Mass
464.136366
SMILES
COCCOC1=NC(=NC2=C1CN(CC2)C(=O)C3=C4C=CC=CN4C=N3)C5=CN=C(C=C5)Cl
InChI
InChI=1S/C23H21ClN6O3/c1-32-10-11-33-22-16-13-29(23(31)20-18-4-2-3-8-30(18)14-26-20)9-7-17(16)27-21(28-22)15-5-6-19(24)25-12-15/h2-6,8,12,14H,7,9-11,13H2,1H3
InChIKey
JBHLOPKIPKTRSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
121.28
TPSA
94.74
LogP / Solubility
WLOGP
3.06
MLOGP
2.73
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1257072-82-4 2-Chloro-7,7-difluoro-6,7-dihydro-5H-cyclopenta[b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257072-82-4.gif)
