CAS RN: 512784-93-9
SRX-246 512784-93-9
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.20251215 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS512784-93-9
- Purity/Analytical Methods: >99.0%
512784-93-9 / (2R)-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
Basic Information
CAS
512784-93-9
Multi CAS
Yes
Molecular Formula
C42H49N5O5
Molecular Weight
703.900000
Exact Mass
703.373370
InChI
InChI=1S/C42H49N5O5/c1-30(32-16-8-3-9-17-32)43-40(49)36(28-38(48)45-26-22-34(23-27-45)44-24-12-5-13-25-44)46-35(21-20-31-14-6-2-7-15-31)39(41(46)50)47-37(29-52-42(47)51)33-18-10-4-11-19-33/h2-4,6-11,14-21,30,34-37,39H,5,12-13,22-29H2,1H3,(H,43,49)/b21-20+/t30-,35-,36-,37-,39+/m1/s1
InChIKey
FJUKOXWSIGULLE-JVOQCOEYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
18
Fraction Csp3
0.43
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
1
Molar refractivity
198.7
TPSA
102.5
LogP / Solubility
WLOGP
5.59
MLOGP
4.98
XLogP3
5.1
Consensus LogP
5.22
Log S (ESOL)
-7.25
Class (ESOL)
Insoluble
Log S (Ali)
-9.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.19
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
8.5
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