![CAS 1211565-10-4 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211565-10-4.gif)
CAS RN: 1211565-10-4
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]aMino]-
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.20260430 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1211565-10-4
- Purity/Analytical Methods: >99.0%
1211565-10-4 / 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dione
3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]amino]-3-cyclobutene-1,2-dione | 3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)amino)-3-cyclobutene-1,2-dione | RefChem:272920
Basic Information
CAS
1211565-10-4
Multi CAS
Yes
Molecular Formula
C22H23F6N3O2
Molecular Weight
475.400000
Exact Mass
475.169446
SMILES
C1CC[C@H]([C@@H](C1)NC2=C(C(=O)C2=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCCC4
InChI
InChI=1S/C22H23F6N3O2/c23-21(24,25)12-9-13(22(26,27)28)11-14(10-12)29-17-18(20(33)19(17)32)30-15-5-1-2-6-16(15)31-7-3-4-8-31/h9-11,15-16,29-30H,1-8H2/t15-,16-/m1/s1
InChIKey
CRIYFAISGRLYEW-HZPDHXFCSA-N
Synonyms
3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]amino]-3-cyclobutene-1,2-dione
3-((3,5-Bis(trifluoromethyl)phenyl)amino)-4-(((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)amino)-3-cyclobutene-1,2-dione
RefChem:272920
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]aMino]-
MFCD30541711
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.56
TPSA
61.44
LogP / Solubility
WLOGP
4.88
MLOGP
4.33
XLogP3
5.1
Consensus LogP
4.77
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1211565-11-5 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(1-piperidinyl)cyclohexyl]aMino]-3-Cyclobutene-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211565-11-5.gif)
