CAS RN: 2043074-64-0
ABX-1431 hydrochloride
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.20250808 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2043074-64-0
- Purity/Analytical Methods: >99.0%
2043074-64-0 / 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;hydrochloride
Basic Information
CAS
2043074-64-0
Multi CAS
No
Molecular Formula
C20H23ClF9N3O2
Molecular Weight
543.900000
Exact Mass
543.133508
SMILES
C1CCN(C1)C2=C(C=CC(=C2)C(F)(F)F)CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F.Cl
InChI
InChI=1S/C20H22F9N3O2.ClH/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29;/h3-4,11,16H,1-2,5-10,12H2;1H
InChIKey
VEAIHOOKWZFFMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.37
TPSA
36.02
LogP / Solubility
WLOGP
5.47
MLOGP
4.86
XLogP3
5.47
Consensus LogP
5.27
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-7.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 2043963-70-6 Phenanthro[2,1-c]carbazole-4,16-diol, 1,2,3,4,5,6,9,13d,14,15,16,16a-dodecahydro-1,7,14,16a-tetramethyl-, (1R,4S,4aS,13dS,14R,16R,16aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2043963-70-6.png)