![CAS 146683-25-2 (S)-4-Ethyl-4-hydroxy-1H-pyrano[3,4-c]pyridine-3,8(4H,7H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/146683-25-2.gif)
CAS RN: 146683-25-2
(S)-4-Ethyl-4-hydroxy-1H-pyrano[3,4-c]pyridine-3,8(4H,7H)-dione
- Product code: SSC-057650
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 | Beijing | Inquiry |
146683-25-2 / (4S)-4-ethyl-4-hydroxy-1,7-dihydropyrano[3,4-c]pyridine-3,8-dione
Basic Information
CAS
146683-25-2
Multi CAS
No
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)NC=C2)O
InChI
InChI=1S/C10H11NO4/c1-2-10(14)7-3-4-11-8(12)6(7)5-15-9(10)13/h3-4,14H,2,5H2,1H3,(H,11,12)/t10-/m0/s1
InChIKey
BUXBOOPDBDMDFZ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.05
TPSA
79.39
LogP / Solubility
WLOGP
0.03
MLOGP
0.03
XLogP3
-0.7
Consensus LogP
-0.21
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 146709-78-6 5,7-DIETHYL-3,4-DIHYDRO-1-[[2′-(1H-TETRAZOL-5-YL)[1,1′-BIPHENYL]-4-YL]METHYL]-1,6-NAPHTHYRIDIN-2(1H)-ONE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/146709-78-6.gif)
