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CAS 272786-64-8 UnifiraM molecular structure lightbox
CAS RN: 272786-64-8

UnifiraM

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Batchno.20260310 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS272786-64-8
  • Purity/Analytical Methods: >99.0%
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272786-64-8 / 2-(4-fluorophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

Standard CAS: 272786-64-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
272786-64-8
Multi CAS
Yes
Molecular Formula
C13FH15N2O3S
Molecular Weight
298.340000
Exact Mass
298.078742
InChI
InChI=1S/C13H15FN2O3S/c14-10-1-4-12(5-2-10)20(18,19)15-7-8-16-11(9-15)3-6-13(16)17/h1-2,4-5,11H,3,6-9H2
InChIKey
SNRTZFZAFBIBJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.89
TPSA
57.69

LogP / Solubility

WLOGP
0.82
MLOGP
0.73
XLogP3
0.6
Consensus LogP
0.72
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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