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CAS 194798-83-9 Fosfluconazole molecular structure lightbox
CAS RN: 194798-83-9

Fosfluconazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS194798-83-9
  • Purity/Analytical Methods: >99.0%
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194798-83-9 / [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] dihydrogen phosphate

Standard CAS: 194798-83-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
194798-83-9
Multi CAS
No
Molecular Formula
C13H13F2N6O4P
Molecular Weight
386.250000
Exact Mass
386.070396
SMILES
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)OP(=O)(O)O
InChI
InChI=1S/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22,23)24,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9H,4-5H2,(H2,22,23,24)
InChIKey
GHJWNRRCRIGGIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.23
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
81.21
TPSA
128.18

LogP / Solubility

WLOGP
0.85
MLOGP
0.77
XLogP3
-0.6
Consensus LogP
0.34
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H360D (100%): May damage the unborn child [Danger Reproductive toxicity] H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501

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