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CAS 167010-30-2 (S)-N-[[3-(3,5-Difluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide molecular structure lightbox
CAS RN: 167010-30-2

(S)-N-[[3-(3,5-Difluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250113 100mg In stock Shanghai Inquiry
Batchno.20250624 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250127 1g In stock Shanghai Inquiry
Batchno.20250913 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS167010-30-2
  • Purity/Analytical Methods: >99.0%
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167010-30-2 / N-[[(5S)-3-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Standard CAS: 167010-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167010-30-2
Multi CAS
No
Molecular Formula
C12H12F2N2O3
Molecular Weight
270.230000
Exact Mass
270.081599
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C12H12F2N2O3/c1-7(17)15-5-11-6-16(12(18)19-11)10-3-8(13)2-9(14)4-10/h2-4,11H,5-6H2,1H3,(H,15,17)/t11-/m0/s1
InChIKey
KDZFVXPBLHNVNS-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.66
TPSA
58.64

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1
Consensus LogP
1.23
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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