![CAS 845616-10-6 1-[2-FLUORO-4-(METHYLSULFONYL)PHENYL]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/845616-10-6.gif)
CAS RN: 845616-10-6
1-[2-FLUORO-4-(METHYLSULFONYL)PHENYL]PIPERAZINE
- Product code: SSC-192089
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
845616-10-6 / 1-(2-fluoro-4-methylsulfonylphenyl)piperazine
Basic Information
CAS
845616-10-6
Multi CAS
No
Molecular Formula
C11FH15N2O2S
Molecular Weight
258.310000
Exact Mass
258.083827
InChI
InChI=1S/C11H15FN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
CMYAOPCJWBOQNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.59
TPSA
49.41
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
XLogP3
0.7
Consensus LogP
0.64
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-(1-PIPERAZINYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE
- CAS RN: 845616-55-9
- Product Code: SSC-192091
-
1-(3-Fluoro-5-trifluoroMethylpyridin-2-yl)piperazine
- CAS RN: 845616-81-1
- Product Code: SSC-192092
-
(S)-2-(1-Methyl-2,2,2-trifluoroethoxy)-5-Methylsulfonylbenzoic acid
- CAS RN: 845616-82-2
- Product Code: SSC-192093
-
5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-Methylethyl)oxy]benzoic acid
- CAS RN: 845616-83-3
- Product Code: starshine_CAS845616-83-3
- Purity/Analytical method: >99.0%
-
5-Methylsulfonyl-2-(2,2,2-trifluoro-1-Methylethoxy)benzoic acid Methyl ester
- CAS RN: 845617-19-8
- Product Code: SSC-192094
![CAS 845616-83-3 5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-Methylethyl)oxy]benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/845616-83-3.gif)
