CAS RN: 1093115-27-5
Ethyl 3-(3-fluoropyridin-2-yl)-3-oxopropanoate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1093115-27-5
- Purity/Analytical Methods: >99.0%
1093115-27-5 / ethyl 3-(3-fluoro-2-pyridinyl)-3-oxopropanoate
ethyl 3-(3-fluoropyridin-2-yl)-3-oxopropanoate | SCHEMBL509093 | IPVDCFDOQGHIEC-UHFFFAOYSA-N
Basic Information
CAS
1093115-27-5
Multi CAS
Yes
Molecular Formula
C10H10FNO3
Molecular Weight
211.190000
Exact Mass
211.064471
SMILES
CCOC(=O)CC(=O)C1=C(C=CC=N1)F
InChI
InChI=1S/C10H10FNO3/c1-2-15-9(14)6-8(13)10-7(11)4-3-5-12-10/h3-5H,2,6H2,1H3
InChIKey
IPVDCFDOQGHIEC-UHFFFAOYSA-N
Synonyms
ethyl 3-(3-fluoropyridin-2-yl)-3-oxopropanoate
SCHEMBL509093
IPVDCFDOQGHIEC-UHFFFAOYSA-N
MFCD23133912
AKOS020179588
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
49.78
TPSA
56.26
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1093185-35-3 3-quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[3-[3-[[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-carboxy-8-chloro-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl]amino]-2-hydroxypropoxy]-1-azetidinyl]-8- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1093185-35-3.gif)
