![CAS 1454257-32-9 “3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-1,2-diphenyl-2-(1-piperidinyl)ethyl]amino]-3-cyclobutene-1,2-dione” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454257-32-9.gif)
CAS RN: 1454257-32-9
“3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-1,2-diphenyl-2-(1-piperidinyl)ethyl]amino]-3-cyclobutene-1,2-dione”
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250930 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1454257-32-9
- Purity/Analytical Methods: >99.0%
1454257-32-9 / 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(1R,2R)-1,2-diphenyl-2-piperidin-1-ylethyl]amino]cyclobut-3-ene-1,2-dione
Basic Information
CAS
1454257-32-9
Multi CAS
No
Molecular Formula
C31H27F6N3O2
Molecular Weight
587.600000
Exact Mass
587.200746
SMILES
C1CCN(CC1)[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NC4=C(C(=O)C4=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C31H27F6N3O2/c32-30(33,34)21-16-22(31(35,36)37)18-23(17-21)38-25-26(29(42)28(25)41)39-24(19-10-4-1-5-11-19)27(20-12-6-2-7-13-20)40-14-8-3-9-15-40/h1-2,4-7,10-13,16-18,24,27,38-39H,3,8-9,14-15H2/t24-,27-/m1/s1
InChIKey
SKVLUTYPDFYXIG-SHQCIBLASA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
22
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
148.5
TPSA
61.44
LogP / Solubility
WLOGP
7.44
MLOGP
6.6
XLogP3
7.2
Consensus LogP
7.08
Log S (ESOL)
-8.03
Class (ESOL)
Insoluble
Log S (Ali)
-9.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
![CAS 1454273-40-5 Ethyl 8-Benzyl-3-Oxo-1-Oxa-8-Azaspiro[4.5]decane-4-Carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Ethyl 8-Benzyl-3-Oxo-1-Oxa-8-Azaspiro[4.5]decane-4-Carboxylate
- CAS RN: 1454273-40-5
- Product Code: SSC-056742
-
Rovazolac
- CAS RN: 1454288-88-0
- Product Code: starshine_CAS1454288-88-0
- Purity/Analytical method: >99.0%
-
[6-(trifluoromethyl)-1H-indazol-4-yl]boronic acid
- CAS RN: 1454301-73-5
- Product Code: SSC-056750
-
(S)-[2’-Benzyl-[1,1’-binaphthalen]-2-yl]diphenylphosphine
- CAS RN: 1454319-47-1
- Product Code: SSC-056751
-
(S)-[2’-(2-Methoxybenzyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine
- CAS RN: 1454319-48-2
- Product Code: SSC-056752
-
(S)-[2’-(4-Methylbenzyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine
- CAS RN: 1454319-49-3
- Product Code: SSC-056753
![CAS 1454273-40-5 Ethyl 8-Benzyl-3-Oxo-1-Oxa-8-Azaspiro[4.5]decane-4-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454273-40-5.gif)
![CAS 1454301-73-5 [6-(trifluoromethyl)-1H-indazol-4-yl]boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454301-73-5.gif)
![CAS 1454319-47-1 (S)-[2’-Benzyl-[1,1’-binaphthalen]-2-yl]diphenylphosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454319-47-1.gif)
![CAS 1454319-48-2 (S)-[2’-(2-Methoxybenzyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454319-48-2.gif)
![CAS 1454319-49-3 (S)-[2’-(4-Methylbenzyl)-[1,1’-binaphthalen]-2-yl]diphenylphosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1454319-49-3.gif)