CAS RN: 2143096-93-7
ABT-263-piperazine
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.20250703 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2143096-93-7
- Purity/Analytical Methods: >99.0%
2143096-93-7 / 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-1-phenylsulfanyl-4-piperazin-1-ylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
Basic Information
CAS
2143096-93-7
Multi CAS
No
Molecular Formula
C47H56ClF3N6O5S3
Molecular Weight
973.600000
Exact Mass
972.311495
SMILES
CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCNCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C
InChI
InChI=1S/C47H56ClF3N6O5S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-56-26-28-57(29-27-56)39-14-10-35(11-15-39)45(58)54-65(61,62)41-16-17-43(44(30-41)64(59,60)47(49,50)51)53-38(19-23-55-24-21-52-22-25-55)33-63-40-6-4-3-5-7-40/h3-17,30,38,52-53H,18-29,31-33H2,1-2H3,(H,54,58)/t38-/m1/s1
InChIKey
CRPNZDFOWRFBLZ-KXQOOQHDSA-N
Computed Properties
Structural Parameters
Heavy atom count
65
Aromatic heavy atom count
24
Fraction Csp3
0.43
Rotatable bonds
16
H-bond acceptors
11
H-bond donors
3
Molar refractivity
253.94
TPSA
131.16
LogP / Solubility
WLOGP
8.41
MLOGP
7.49
XLogP3
9.3
Consensus LogP
8.4
Log S (ESOL)
-10.39
Class (ESOL)
Insoluble
Log S (Ali)
-13.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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