CAS RN: 1440898-61-2
Deltarasin
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260403 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1440898-61-2
- Purity/Analytical Methods: >99.0%
1440898-61-2 / 1-benzyl-2-[4-[(2S)-2-(2-phenylbenzimidazol-1-yl)-2-piperidin-4-ylethoxy]phenyl]benzimidazole
Basic Information
CAS
1440898-61-2
Multi CAS
No
Molecular Formula
C40H37N5O
Molecular Weight
603.800000
Exact Mass
603.299811
SMILES
C1CNCCC1[C@@H](COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)N6C7=CC=CC=C7N=C6C8=CC=CC=C8
InChI
InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
InChIKey
LTZKEDSUXKTTTC-KXQOOQHDSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
36
Fraction Csp3
0.2
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
186.01
TPSA
56.9
LogP / Solubility
WLOGP
8.39
MLOGP
7.43
XLogP3
7.8
Consensus LogP
7.87
Log S (ESOL)
-8.85
Class (ESOL)
Insoluble
Log S (Ali)
-10.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.45
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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