CAS RN: 1251014-54-6
1-Tert-Butyl6-Methyl 3,4-Dihydro-1,5-Naphthyridine-1,6(2H)-Dicarboxylate(WX140046)
- Product code: SSC-029729
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 | Beijing | Inquiry |
1251014-54-6 / 1-O-tert-butyl 6-O-methyl 3,4-dihydro-2H-1,5-naphthyridine-1,6-dicarboxylate
Basic Information
CAS
1251014-54-6
Multi CAS
No
Molecular Formula
C15H20N2O4
Molecular Weight
292.330000
Exact Mass
292.142307
SMILES
CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=N2)C(=O)OC
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)17-9-5-6-10-12(17)8-7-11(16-10)13(18)20-4/h7-8H,5-6,9H2,1-4H3
InChIKey
OJWKXBLNHUDMNU-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
77.48
TPSA
68.73
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.2
Consensus LogP
2.34
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.69
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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