CAS RN: 168828-72-6
(R)-3-(3-FLUORO-4-THIOMORPHOLINOPHENYL)-5-(HYDROXYMETHYL)OXAZOLIDIN-2-ONE
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.20260202 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS168828-72-6
- Purity/Analytical Methods: >99.0%
168828-72-6 / (5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Basic Information
CAS
168828-72-6
Multi CAS
No
Molecular Formula
C14H17FN2O3S
Molecular Weight
312.360000
Exact Mass
312.094392
SMILES
C1CSCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F
InChI
InChI=1S/C14H17FN2O3S/c15-12-7-10(17-8-11(9-18)20-14(17)19)1-2-13(12)16-3-5-21-6-4-16/h1-2,7,11,18H,3-6,8-9H2/t11-/m1/s1
InChIKey
TUECWCXPYKEVPZ-LLVKDONJSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.64
TPSA
53.01
LogP / Solubility
WLOGP
1.7
MLOGP
1.51
XLogP3
1.5
Consensus LogP
1.57
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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