CAS RN: 7116-38-3
3-(4-FLUORO-PHENYL)-PROPIONIC ACID ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251215 | 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-180820
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 2 In Stock | Shanghai | Inquiry |
| 25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 500g | >97% | 1 In Stock | Shenzhen | Inquiry |
7116-38-3 / tert-butyl 4-fluorobenzoate
Basic Information
CAS
7116-38-3
Multi CAS
Yes
Molecular Formula
C11FH13O2
Molecular Weight
196.220000
Exact Mass
196.089958
InChI
InChI=1S/C11H13FO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3
InChIKey
RFDMUTQYDLCBFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.57
TPSA
26.3
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.9
Consensus LogP
2.71
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-(3-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER
- CAS RN: 7116-39-4
- Product Code: SSC-180821
-
-
-
-
2-Isopropyl-N-methylaniline
- CAS RN: 7117-18-2
- Product Code: starshine_CAS7117-18-2
- Purity/Analytical method: >99.0%
-
6-(4-BROMO-PHENYL)-IMIDAZO[2,1-B]THIAZOLE
- CAS RN: 7120-13-0
- Product Code: starshine_CAS7120-13-0
- Purity/Analytical method: >99.0%
![CAS 7120-13-0 6-(4-BROMO-PHENYL)-IMIDAZO[2,1-B]THIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7120-13-0.gif)