CAS RN: 22736-85-2
Diflumidone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260519 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22736-85-2
- Purity/Analytical Methods: >99.0%
22736-85-2 / N-(3-benzoylphenyl)-1,1-difluoromethanesulfonamide
Basic Information
CAS
22736-85-2
Multi CAS
No
Molecular Formula
C14H11F2NO3S
Molecular Weight
311.310000
Exact Mass
311.042771
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C(F)F
InChI
InChI=1S/C14H11F2NO3S/c15-14(16)21(19,20)17-12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9,14,17H
InChIKey
JLBDOSAQLCZTSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.86
TPSA
63.24
LogP / Solubility
WLOGP
2.88
MLOGP
2.55
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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