CAS RN: 129244-66-2
Hoechst 33258 analog 6
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.20251228 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS129244-66-2
- Purity/Analytical Methods: >99.0%
129244-66-2 / 2,6-ditert-butyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
Basic Information
CAS
129244-66-2
Multi CAS
No
Molecular Formula
C33H40N6O
Molecular Weight
536.700000
Exact Mass
536.326360
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C33H40N6O/c1-32(2,3)23-16-21(17-24(29(23)40)33(4,5)6)31-35-25-10-8-20(18-27(25)36-31)30-34-26-11-9-22(19-28(26)37-30)39-14-12-38(7)13-15-39/h8-11,16-19,40H,12-15H2,1-7H3,(H,34,37)(H,35,36)
InChIKey
LXRWWFIBSFWADZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.39
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
165.39
TPSA
84.07
LogP / Solubility
WLOGP
6.83
MLOGP
6.05
XLogP3
7.3
Consensus LogP
6.73
Log S (ESOL)
-7.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.17
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)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 129265-61-8 [1,1′-Biphenyl]-2-carboxaldehyde, 4′-[9-(2′-formyl[1,1′-biphenyl]-4-yl)-1,10-phenanthrolin-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129265-61-8.gif)
