CAS RN: 259809-47-7
6-TERT-BUTYL 2-METHYL 7,8-DIHYDRO-1,6-NAPHTHYRIDINE-2,6(5H)-DICARBOXYLATE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-122764
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 |
259809-47-7 / 6-O-tert-butyl 2-O-methyl 7,8-dihydro-5H-1,6-naphthyridine-2,6-dicarboxylate
Basic Information
CAS
259809-47-7
Multi CAS
No
Molecular Formula
C15H20N2O4
Molecular Weight
292.330000
Exact Mass
292.142307
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)17-8-7-11-10(9-17)5-6-12(16-11)13(18)20-4/h5-6H,7-9H2,1-4H3
InChIKey
SIDSQSLFPRZTOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
75.92
TPSA
68.73
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
1.8
Consensus LogP
1.96
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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