CAS RN: 2235358-74-2
Deltasonamide 2 TFA
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.20260617 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2235358-74-2
- Purity/Analytical Methods: >99.0%
2235358-74-2 / 4-N-(4-aminocyclohexyl)-1-N-[(4-chlorophenyl)methyl]-1-N-cyclopentyl-4-N-[[2-(methylamino)pyrimidin-4-yl]methyl]benzene-1,4-disulfonamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
2235358-74-2
Multi CAS
No
Molecular Formula
C32H40ClF3N6O6S2
Molecular Weight
761.300000
Exact Mass
760.209138
SMILES
CNC1=NC=CC(=N1)CN(C2CCC(CC2)N)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C30H39ClN6O4S2.C2HF3O2/c1-33-30-34-19-18-25(35-30)21-37(27-12-10-24(32)11-13-27)43(40,41)29-16-14-28(15-17-29)42(38,39)36(26-4-2-3-5-26)20-22-6-8-23(31)9-7-22;3-2(4,5)1(6)7/h6-9,14-19,24,26-27H,2-5,10-13,20-21,32H2,1H3,(H,33,34,35);(H,6,7)
InChIKey
CPZRTOXQVYGULV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
18
Fraction Csp3
0.47
Rotatable bonds
11
H-bond acceptors
9
H-bond donors
3
Molar refractivity
181.11
TPSA
175.89
LogP / Solubility
WLOGP
5.4
MLOGP
4.82
XLogP3
5.4
Consensus LogP
5.21
Log S (ESOL)
-7.5
Class (ESOL)
Insoluble
Log S (Ali)
-9.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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