CAS RN: 82576-52-1
BENDAZACLYSINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250510 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS82576-52-1
- Purity/Analytical Methods: >99.0%
82576-52-1 / 2-(1-benzylindazol-3-yl)oxyacetate;2,6-bis(azaniumyl)hexanoate
Basic Information
CAS
82576-52-1
Multi CAS
Yes
Molecular Formula
C22H28N4O5
Molecular Weight
428.500000
Exact Mass
428.205970
InChI
InChI=1S/C16H14N2O3.C6H14N2O2/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;7-4-2-1-3-5(8)6(9)10/h1-9H,10-11H2,(H,19,20);5H,1-4,7-8H2,(H,9,10)
InChIKey
OCOCFNMFLNFNIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
2
Molar refractivity
109.07
TPSA
162.59
LogP / Solubility
WLOGP
-2.03
MLOGP
-1.76
XLogP3
-2.03
Consensus LogP
-1.94
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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