![CAS 1250999-71-3 3,4-Dihydro-1H-[2,7]Naphthyridine-2,5-Dicarboxylicacid2-Tert-Butylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250999-71-3.gif)
CAS RN: 1250999-71-3
3,4-Dihydro-1H-[2,7]Naphthyridine-2,5-Dicarboxylicacid2-Tert-Butylester
- Product code: SSC-029654
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: 0
- 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 | 0 | 0 Out of Stock | Hong Kong | Inquiry |
1250999-71-3 / 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
Basic Information
CAS
1250999-71-3
Multi CAS
No
Molecular Formula
C14H18N2O4
Molecular Weight
278.300000
Exact Mass
278.126657
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C=NC=C2C1)C(=O)O
InChI
InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-5-4-10-9(8-16)6-15-7-11(10)12(17)18/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKey
USMOUCKEBWITHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.54
TPSA
79.73
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
1.1
Consensus LogP
1.67
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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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