CAS RN: 2095486-67-0
eIF4A3 inhibitor 53a
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.20250605 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2095486-67-0
- Purity/Analytical Methods: >99.0%
2095486-67-0 / 3-[4-[(3S)-4-(4-bromobenzoyl)-3-(4-chlorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]benzonitrile
Basic Information
CAS
2095486-67-0
Multi CAS
No
Molecular Formula
C29H23BrClN5O2
Molecular Weight
588.900000
Exact Mass
587.072370
SMILES
CC1=C(C=NN1C2=CC=CC(=C2)C#N)C(=O)N3CCN([C@H](C3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C29H23BrClN5O2/c1-19-26(17-33-36(19)25-4-2-3-20(15-25)16-32)29(38)34-13-14-35(28(37)22-5-9-23(30)10-6-22)27(18-34)21-7-11-24(31)12-8-21/h2-12,15,17,27H,13-14,18H2,1H3/t27-/m1/s1
InChIKey
BDGKKHWJYBQRIE-HHHXNRCGSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
23
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
148.29
TPSA
82.23
LogP / Solubility
WLOGP
5.81
MLOGP
5.16
XLogP3
5.2
Consensus LogP
5.39
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-8.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5
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