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CAS 1215006-11-3 N-Tert-butyl-N-(((S)-3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide molecular structure lightbox
CAS RN: 1215006-11-3

N-Tert-butyl-N-(((S)-3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1215006-11-3
  • Purity/Analytical Methods: >99.0%
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1215006-11-3 / N-tert-butyl-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Standard CAS: 1215006-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215006-11-3
Multi CAS
No
Molecular Formula
C20H28FN3O4
Molecular Weight
393.500000
Exact Mass
393.206385
SMILES
CC(=O)N(C[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F)C(C)(C)C
InChI
InChI=1S/C20H28FN3O4/c1-14(25)24(20(2,3)4)13-16-12-23(19(26)28-16)15-5-6-18(17(21)11-15)22-7-9-27-10-8-22/h5-6,11,16H,7-10,12-13H2,1-4H3/t16-/m1/s1
InChIKey
BSDSXXVOXRYERA-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
104.19
TPSA
62.32

LogP / Solubility

WLOGP
2.63
MLOGP
2.34
XLogP3
1.9
Consensus LogP
2.29
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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