CAS RN: 24106-86-3
2-(2-FLUOROBENZYL)ACETOACETIC ACID ETHYL ESTER
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.20250202 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24106-86-3
- Purity/Analytical Methods: >99.0%
24106-86-3 / ethyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate
Basic Information
CAS
24106-86-3
Multi CAS
No
Molecular Formula
C13H15FO3
Molecular Weight
238.250000
Exact Mass
238.100523
SMILES
CCOC(=O)C(CC1=CC=CC=C1F)C(=O)C
InChI
InChI=1S/C13H15FO3/c1-3-17-13(16)11(9(2)15)8-10-6-4-5-7-12(10)14/h4-7,11H,3,8H2,1-2H3
InChIKey
FYIXPASNYHVDHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
60.91
TPSA
43.37
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
2.6
Consensus LogP
2.21
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.66
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
2
Customers Also Viewed
-
![CAS 2410-93-7 L-Glutamic acid, N-[4-[[ (2-amino-1, 4-dihydro-4-oxo-6-pteridinyl)meth yl]methylamino]benzoyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
L-Glutamic acid, N-[4-[[ (2-amino-1, 4-dihydro-4-oxo-6-pteridinyl)meth yl]methylamino]benzoyl]-
- CAS RN: 2410-93-7
- Product Code: SSC-117444
-
-
3-(4-chlorophenyl)quinazolin-4-one
- CAS RN: 24122-31-4
- Product Code: starshine_CAS24122-31-4
- Purity/Analytical method: >99.0%
-
-
-
1-methyl-4-[(4-methylphenyl)sulfonyloxymethoxysulfonyl]benzene
- CAS RN: 24124-59-2
- Product Code: starshine_CAS24124-59-2
- Purity/Analytical method: >99.0%
![CAS 2410-93-7 L-Glutamic acid, N-[4-[[ (2-amino-1, 4-dihydro-4-oxo-6-pteridinyl)meth yl]methylamino]benzoyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2410-93-7.gif)
![CAS 24124-59-2 1-methyl-4-[(4-methylphenyl)sulfonyloxymethoxysulfonyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24124-59-2.gif)