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CAS 1628806-43-8 (R)-4-((S)-1-fluoroethyl)-3-(2-fluoropyrimidin-4-yl)oxazolidin-2-one molecular structure lightbox
CAS RN: 1628806-43-8

(R)-4-((S)-1-fluoroethyl)-3-(2-fluoropyrimidin-4-yl)oxazolidin-2-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1628806-43-8
  • Purity/Analytical Methods: >99.0%
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1628806-43-8 / (4R)-4-[(1S)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one

Standard CAS: 1628806-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1628806-43-8
Multi CAS
No
Molecular Formula
C9H9F2N3O2
Molecular Weight
229.180000
Exact Mass
229.066283
SMILES
C[C@@H]([C@H]1COC(=O)N1C2=NC(=NC=C2)F)F
InChI
InChI=1S/C9H9F2N3O2/c1-5(10)6-4-16-9(15)14(6)7-2-3-12-8(11)13-7/h2-3,5-6H,4H2,1H3/t5-,6+/m0/s1
InChIKey
KBEDGSHRLWBUDV-NTSWFWBYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.18
TPSA
55.32

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.28
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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