CAS RN: 2306271-77-0
tert-butyl 3-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
- Product code: SSC-112305
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 4 In Stock | Beijing | Inquiry |
| 1g | >95% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 0 Out of Stock | Beijing | Inquiry |
| 5g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
2306271-77-0 / tert-butyl 3-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
Basic Information
CAS
2306271-77-0
Multi CAS
No
Molecular Formula
C13H19N3O2
Molecular Weight
249.310000
Exact Mass
249.147727
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N=CC(=C2)N
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-5-4-9-6-10(14)7-15-11(9)8-16/h6-7H,4-5,8,14H2,1-3H3
InChIKey
LPITVLWKNQNRQE-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
4
H-bond donors
1
Molar refractivity
69
TPSA
68.45
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
0.9
Consensus LogP
1.53
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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