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: 0.05g, 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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.
1228354-15-1 / 4-ethynyl-2-(fluoromethyl)-1,3-thiazole
Basic Information
CAS
1228354-15-1
Multi CAS
No
Molecular Formula
C6H4FNS
Molecular Weight
141.170000
Exact Mass
141.004848
SMILES
C#CC1=CSC(=N1)CF
InChI
InChI=1S/C6H4FNS/c1-2-5-4-9-6(3-7)8-5/h1,4H,3H2
InChIKey
BEYBQCYNCYFGNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.86
TPSA
12.89
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1228357-04-7 Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[1-[[[[3-(trifluoromethyl)phenoxy]carbonyl]amino]methyl]-1,2-ethanediyl] ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[1-[[[[3-(trifluoromethyl)phenoxy]carbonyl]amino]methyl]-1,2-ethanediyl] ester
- CAS RN: 1228357-04-7
- Product Code: starshine_CAS1228357-04-7
- Purity/Analytical method: >99.0%
-
ethyl(1R,3S,4S)-3-fluoro-4-hydroxycyclohexane-1-carboxylate
- CAS RN: 1228360-09-5
- Product Code: starshine_CAS1228360-09-5
- Purity/Analytical method: >99.0%
-
-
di-tert-butyl 4-bromo-2-nitrophenylcarbamate
- CAS RN: 1228392-59-3
- Product Code: SSC-026386
-
3-bromo-5-methyl-1,2,4-oxadiazole(SALTDATA: FREE)
- CAS RN: 1228427-07-3
- Product Code: SSC-026387
-
Pyrintegrin
- CAS RN: 1228445-38-2
- Product Code: starshine_CAS1228445-38-2
- Purity/Analytical method: >99.0%
![CAS 1228357-04-7 Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[1-[[[[3-(trifluoromethyl)phenoxy]carbonyl]amino]methyl]-1,2-ethanediyl] ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228357-04-7.gif)
