CAS RN: 64984-31-2

Pifithrin-μ

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8 package records6 with current stock2 grade groups
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Batchno.20250226 10mg / 25mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
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Batchno.20260123 100mg In stock Shanghai Inquiry
Batchno.20251231 10mg In stock Shanghai Inquiry
Batchno.20260305 1g Out of stock Inquiry
Batchno.20250729 250mg In stock Shanghai Inquiry
Batchno.20260203 25mg In stock Shanghai Inquiry
Batchno.20260104 50mg In stock Shanghai Inquiry
Batchno.20250403 5mg In stock Shanghai Inquiry
  • Product code: ICTP2048
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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64984-31-2 / (4-methylphenyl)sulfonylformonitrile

Standard CAS: 64984-31-2 Multi CAS: Yes

Basic Information

CAS
64984-31-2
Multi CAS
Yes
Molecular Formula
C8H7NO2S
Molecular Weight
181.210000
Exact Mass
181.019750
InChI
InChI=1S/C8H7NO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,1H3
InChIKey
JONIMGVUGJVFQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.98
TPSA
57.93

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
2.3
Consensus LogP
1.55
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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