CAS RN: 1644236-95-2
ethyl 2-hydroxy-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxylate hydrochloride
- Product code: SSC-071869
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1644236-95-2 / ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride
Basic Information
CAS
1644236-95-2
Multi CAS
No
Molecular Formula
C11H15ClN2O3
Molecular Weight
258.700000
Exact Mass
258.077120
SMILES
CCOC(=O)C1C2=C(CCN1)NC(=O)C=C2.Cl
InChI
InChI=1S/C11H14N2O3.ClH/c1-2-16-11(15)10-7-3-4-9(14)13-8(7)5-6-12-10;/h3-4,10,12H,2,5-6H2,1H3,(H,13,14);1H
InChIKey
GWSYQKNIFGFBDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.39
TPSA
71.19
LogP / Solubility
WLOGP
0.55
MLOGP
0.49
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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