CAS RN: 1416713-17-1
benzyl 7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
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.20251001 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-052190
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 | Hong Kong | Inquiry |
1416713-17-1 / benzyl 7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
Basic Information
CAS
1416713-17-1
Multi CAS
No
Molecular Formula
C16H16N2O2
Molecular Weight
268.310000
Exact Mass
268.121178
SMILES
C1CN(CC2=C1N=CC=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H16N2O2/c19-16(20-12-13-5-2-1-3-6-13)18-10-8-15-14(11-18)7-4-9-17-15/h1-7,9H,8,10-12H2
InChIKey
ZFXIQPWJLUFVIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
74.98
TPSA
42.43
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.1
Consensus LogP
2.44
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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