CAS RN: 664338-39-0
Arterolane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250915 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS664338-39-0
- Purity/Analytical Methods: >99.0%
664338-39-0 / Arterolane
Basic Information
CAS
664338-39-0
Multi CAS
No
Molecular Formula
C22H36N2O4
Molecular Weight
392.500000
Exact Mass
392.267508
InChI
InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
InChIKey
VXYZBLXGCYNIHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.95
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
103.61
TPSA
82.81
LogP / Solubility
WLOGP
3.25
MLOGP
2.88
XLogP3
2.4
Consensus LogP
2.84
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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