![CAS 342808-40-6 3,5-Bis[(2-fluorophenyl)Methylene]-4-piperidinone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/342808-40-6.gif)
CAS RN: 342808-40-6
3,5-Bis[(2-fluorophenyl)Methylene]-4-piperidinone
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
- Product code: starshine_CAS342808-40-6
- Purity/Analytical Methods: >99.0%
342808-40-6 / (3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
Basic Information
CAS
342808-40-6
Multi CAS
Yes
Molecular Formula
C19F2H15NO
Molecular Weight
311.300000
Exact Mass
311.112170
InChI
InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
InChIKey
NIVYQYSNRUIFIF-KAVGSWPWSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.63
TPSA
29.1
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.4
Consensus LogP
3.39
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 342813-25-6 (S)-(+)-(3,5-DIOXA-4-PHOSPHACYCLOHEPTA[2,1-A,3,4-A’]DINAPHTHALEN-4-YL)BIS[(1R)-1-(1-NAPHTHALENYL)ETHYL]AMINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(S)-(+)-(3,5-DIOXA-4-PHOSPHACYCLOHEPTA[2,1-A,3,4-A’]DINAPHTHALEN-4-YL)BIS[(1R)-1-(1-NAPHTHALENYL)ETHYL]AMINE
- CAS RN: 342813-25-6
- Product Code: SSC-140581
-
“(11bS)-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine”
- CAS RN: 342813-26-7
- Product Code: starshine_CAS342813-26-7
- Purity/Analytical method: >99.0%
-
BenzeneMethanaMine, 2-(2,2,2-trifluoroethoxy)-
- CAS RN: 342816-26-6
- Product Code: SSC-140582
-
(3-CHLORO-PYRIDIN-2-YL)-METHYLAMINE DIHYDROCHLORIDE
- CAS RN: 342816-31-3
- Product Code: SSC-140583
-
N-Me-N-(PEG2-OH)2
- CAS RN: 342818-95-5
- Product Code: starshine_CAS342818-95-5
- Purity/Analytical method: >99.0%
-
![CAS 342813-25-6 (S)-(+)-(3,5-DIOXA-4-PHOSPHACYCLOHEPTA[2,1-A,3,4-A’]DINAPHTHALEN-4-YL)BIS[(1R)-1-(1-NAPHTHALENYL)ETHYL]AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/342813-25-6.gif)
![CAS 342813-26-7 “(11bS)-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/342813-26-7.gif)
