CAS RN: 460754-33-0
O-O-DIBENZYL-(-)-ACTINONIN
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.20250827 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS460754-33-0
- Purity/Analytical Methods: >99.0%
460754-33-0 / (2R)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-yl]-2-pentyl-N'-phenylmethoxybutanediamide
Basic Information
CAS
460754-33-0
Multi CAS
Yes
Molecular Formula
C33H47N3O5
Molecular Weight
565.700000
Exact Mass
565.351572
InChI
InChI=1S/C33H47N3O5/c1-4-5-8-18-28(21-30(37)35-41-23-27-16-11-7-12-17-27)32(38)34-31(25(2)3)33(39)36-20-13-19-29(36)24-40-22-26-14-9-6-10-15-26/h6-7,9-12,14-17,25,28-29,31H,4-5,8,13,18-24H2,1-3H3,(H,34,38)(H,35,37)/t28-,29+,31+/m1/s1
InChIKey
UAKVQDJESYHMIP-HZFRXHCASA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.55
Rotatable bonds
17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
159.22
TPSA
96.97
LogP / Solubility
WLOGP
5.17
MLOGP
4.59
XLogP3
5.6
Consensus LogP
5.12
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.67
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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