CAS RN: 1024250-92-7
1024250-92-7
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.20260319 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1024250-92-7
- Purity/Analytical Methods: >99.0%
1024250-92-7 / N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide | MFCD21009537 | N-(4-bromo-3-fluoro-phenyl)-4-methyl-benzenesulfonamide
Basic Information
CAS
1024250-92-7
Multi CAS
No
Molecular Formula
C13H11BrFNO2S
Molecular Weight
344.200000
Exact Mass
342.967790
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C13H11BrFNO2S/c1-9-2-5-11(6-3-9)19(17,18)16-10-4-7-12(14)13(15)8-10/h2-8,16H,1H3
InChIKey
SQZDIXJWYCNESW-UHFFFAOYSA-N
Synonyms
N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
MFCD21009537
N-(4-bromo-3-fluoro-phenyl)-4-methyl-benzenesulfonamide
AKOS014767834
BS-45465
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.09
TPSA
46.17
LogP / Solubility
WLOGP
3.7
MLOGP
3.27
XLogP3
3.6
Consensus LogP
3.52
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
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)
-2.19
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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