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CAS 13577-71-4 fluromidine molecular structure lightbox
CAS RN: 13577-71-4

fluromidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250601 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13577-71-4
  • Purity/Analytical Methods: >99.0%
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13577-71-4 / 6-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

Standard CAS: 13577-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13577-71-4
Multi CAS
No
Molecular Formula
C7H3ClF3N3
Molecular Weight
221.570000
Exact Mass
220.996759
SMILES
C1=C(C=NC2=C1NC(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C7H3ClF3N3/c8-3-1-4-5(12-2-3)14-6(13-4)7(9,10)11/h1-2H,(H,12,13,14)
InChIKey
QJYOCYOOZHULNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.9
TPSA
41.57

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2
Consensus LogP
2.32
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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