CAS RN: 1823228-83-6
Tert-Butyl 3-bromo-5,6-dihydro-1,7-naphthyridine-7(8H)-carboxylate
Product Availability
Choose a grade to view its available package options.
7 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 100mg | Out of stock | Inquiry | |
| Batchno.20251205 | 10mg | Out of stock | Inquiry | |
| Batchno.20250126 | 10mg / 25mg / 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
| Batchno.20250429 | 1g | Out of stock | Inquiry | |
| Batchno.20250110 | 250mg | Out of stock | Inquiry | |
| Batchno.20260526 | 25mg | Out of stock | Inquiry | |
| Batchno.20250517 | 50mg | Out of stock | Inquiry |
- Product code: SSC-083478
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 | Hong Kong | Inquiry |
1823228-83-6 / tert-butyl 3-bromo-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
Basic Information
CAS
1823228-83-6
Multi CAS
No
Molecular Formula
C13H17BrN2O2
Molecular Weight
313.190000
Exact Mass
312.047340
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N=CC(=C2)Br
InChI
InChI=1S/C13H17BrN2O2/c1-13(2,3)18-12(17)16-5-4-9-6-10(14)7-15-11(9)8-16/h6-7H,4-5,8H2,1-3H3
InChIKey
CQPVBKLVMUZIPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.29
TPSA
42.43
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
2.3
Consensus LogP
2.74
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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