CAS RN: 154669-49-5
(S)-(2-Oxooxazolidin-4-yl)methyl 4-methylbenzenesulfonate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250627 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251030 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250109 | 1g | Out of stock | Inquiry | ||
| Batchno.20250822 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS154669-49-5
- Purity/Analytical Methods: >99.0%
154669-49-5 / [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 4-methylbenzenesulfonate
Basic Information
CAS
154669-49-5
Multi CAS
No
Molecular Formula
C11H13NO5S
Molecular Weight
271.290000
Exact Mass
271.051444
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2COC(=O)N2
InChI
InChI=1S/C11H13NO5S/c1-8-2-4-10(5-3-8)18(14,15)17-7-9-6-16-11(13)12-9/h2-5,9H,6-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey
XZXRYNVWWTZADH-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.59
TPSA
81.7
LogP / Solubility
WLOGP
0.81
MLOGP
0.72
XLogP3
1.1
Consensus LogP
0.88
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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