CAS RN: 1199589-74-6
5-Fluoro Risperidone
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.20250809 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1199589-74-6
- Purity/Analytical Methods: >99.0%
1199589-74-6 / 3-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
5-Fluororisperidone | UNII-JK7A3TF01W | JK7A3TF01W
Basic Information
CAS
1199589-74-6
Multi CAS
Yes
Molecular Formula
C23H27FN4O2
Molecular Weight
410.500000
Exact Mass
410.211804
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=C(C=C5)F
InChI
InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-14-17(24)5-6-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
InChIKey
YNIYHYADOBEXLE-UHFFFAOYSA-N
Synonyms
5-Fluororisperidone
UNII-JK7A3TF01W
JK7A3TF01W
Risperidone specified impurity D [EP]
3-(2-(4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
112.26
TPSA
64.16
LogP / Solubility
WLOGP
3.59
MLOGP
3.18
XLogP3
2.7
Consensus LogP
3.16
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
Customers Also Viewed
-
GNE 220
- CAS RN: 1199590-75-4
- Product Code: starshine_CAS1199590-75-4
- Purity/Analytical method: >99.0%
-
ethyl 1-(4-Methoxybenzyl)-1H-pyrazole-4-carboxylate
- CAS RN: 1199590-80-1
- Product Code: SSC-020722
-
-
(S)-3,3′-bis(4-Methoxyphenyl)-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 1199631-29-2
- Product Code: SSC-020725
-
-
![CAS 1199631-29-2 (S)-3,3′-bis(4-Methoxyphenyl)-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1199631-29-2.gif)
