CAS RN: 670254-71-4
(4S,5R)-3-tert-butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260531 | 10g | Out of stock | Inquiry | |
| Batchno.20250103 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250724 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250111 | 5g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS670254-71-4
- Purity/Analytical Methods: >99.0%
670254-71-4 / 3-O-tert-butyl 5-O-methyl 2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
Basic Information
CAS
670254-71-4
Multi CAS
Yes
Molecular Formula
C23H27NO6
Molecular Weight
413.500000
Exact Mass
413.183838
InChI
InChI=1S/C23H27NO6/c1-23(2,3)30-22(26)24-18(15-9-7-6-8-10-15)19(21(25)28-5)29-20(24)16-11-13-17(27-4)14-12-16/h6-14,18-20H,1-5H3
InChIKey
KPGOCVKHOGAOJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
109.88
TPSA
74.3
LogP / Solubility
WLOGP
4.24
MLOGP
3.76
XLogP3
3.8
Consensus LogP
3.93
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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