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CAS 852146-73-7 KR-32568 molecular structure lightbox
CAS RN: 852146-73-7

KR-32568

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 100mg In stock Shanghai Inquiry
Batchno.20250915 10mg In stock Shanghai Inquiry
Batchno.20260607 250mg Out of stock Inquiry
Batchno.20250311 25mg In stock Shanghai Inquiry
Batchno.20260125 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS852146-73-7
  • Purity/Analytical Methods: >99.0%
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852146-73-7 / N-(diaminomethylidene)-5-(5-fluoro-2-methylphenyl)furan-2-carboxamide

Standard CAS: 852146-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852146-73-7
Multi CAS
No
Molecular Formula
C13FH12N3O2
Molecular Weight
261.250000
Exact Mass
261.091355
InChI
InChI=1S/C13H12FN3O2/c1-7-2-3-8(14)6-9(7)10-4-5-11(19-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)
InChIKey
DTLDHYBZLVASJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.98
TPSA
94.61

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
2.4
Consensus LogP
1.94
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

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
1.5

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