CAS RN: 168828-73-7
(R)-(3-(3-fluoro-4-thiomorpholinophenyl)-2-oxooxazolidin-5-yl)methyl 4-methylbenzenesulfonate
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.20250620 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS168828-73-7
- Purity/Analytical Methods: >99.0%
168828-73-7 / [(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
Basic Information
CAS
168828-73-7
Multi CAS
No
Molecular Formula
C21H23FN2O5S2
Molecular Weight
466.600000
Exact Mass
466.103242
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCSCC4)F
InChI
InChI=1S/C21H23FN2O5S2/c1-15-2-5-18(6-3-15)31(26,27)28-14-17-13-24(21(25)29-17)16-4-7-20(19(22)12-16)23-8-10-30-11-9-23/h2-7,12,17H,8-11,13-14H2,1H3/t17-/m1/s1
InChIKey
JLDPJKVAJJNZGJ-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
117.87
TPSA
76.15
LogP / Solubility
WLOGP
3.42
MLOGP
3.04
XLogP3
3.5
Consensus LogP
3.32
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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