CAS RN: 876556-75-1
N-(3-fluoro-4-methylphenyl)-4-methyl-benzenesulfonamide（WS203348）
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.20250123 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS876556-75-1
- Purity/Analytical Methods: >99.0%
876556-75-1 / N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
Basic Information
CAS
876556-75-1
Multi CAS
No
Molecular Formula
C14FH14NO2S
Molecular Weight
279.330000
Exact Mass
279.072928
InChI
InChI=1S/C14H14FNO2S/c1-10-3-7-13(8-4-10)19(17,18)16-12-6-5-11(2)14(15)9-12/h3-9,16H,1-2H3
InChIKey
IUEJODRUQMHYLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.12
TPSA
46.17
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
3.3
Consensus LogP
3.13
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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