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CAS 333753-72-3 Desacetyl-N,O-descarbonyl Linezolid molecular structure lightbox
CAS RN: 333753-72-3

Desacetyl-N,O-descarbonyl Linezolid

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 10mg In stock Inquiry
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Batchno.20250427 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS333753-72-3
  • Purity/Analytical Methods: >99.0%
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333753-72-3 / (2S)-1-amino-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol

Standard CAS: 333753-72-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
333753-72-3
Multi CAS
Yes
Molecular Formula
C13FH20N3O2
Molecular Weight
269.320000
Exact Mass
269.153955
InChI
InChI=1S/C13H20FN3O2/c14-12-7-10(16-9-11(18)8-15)1-2-13(12)17-3-5-19-6-4-17/h1-2,7,11,16,18H,3-6,8-9,15H2
InChIKey
ZFBUTKXYLNLAHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
72.98
TPSA
70.75

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.7
Consensus LogP
0.48
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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