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CAS 220200-88-4 (2R,4R)-4-Methyl-2-trichloro-methyloxazolidin-5-one molecular structure lightbox
CAS RN: 220200-88-4

(2R,4R)-4-Methyl-2-trichloro-methyloxazolidin-5-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS220200-88-4
  • Purity/Analytical Methods: >99.0%
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220200-88-4 / (3R,7aS)-7a-methyl-3-(trichloromethyl)-3,5,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-1-one

Standard CAS: 220200-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220200-88-4
Multi CAS
No
Molecular Formula
C8H10Cl3NO2
Molecular Weight
258.500000
Exact Mass
256.977712
SMILES
C[C@@]12CCCN1[C@H](OC2=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H10Cl3NO2/c1-7-3-2-4-12(7)5(8(9,10)11)14-6(7)13/h5H,2-4H2,1H3/t5-,7+/m1/s1
InChIKey
CQNBNGSUEQTECE-VDTYLAMSSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.88
H-bond acceptors
3
Molar refractivity
54.52
TPSA
29.54

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.7
Consensus LogP
2.21
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.81

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
2.5

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