CAS RN: 1480694-08-3
1480694-08-3
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.20250829 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1480694-08-3
- Purity/Analytical Methods: >99.0%
1480694-08-3 / 4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
Basic Information
CAS
1480694-08-3
Multi CAS
No
Molecular Formula
C12H7BrF3NO2S
Molecular Weight
366.160000
Exact Mass
364.933300
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=CC(=C(C=C2F)F)F)Br
InChI
InChI=1S/C12H7BrF3NO2S/c13-7-1-3-8(4-2-7)20(18,19)17-12-6-10(15)9(14)5-11(12)16/h1-6,17H
InChIKey
URZOSHSPHZSFLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.27
TPSA
46.17
LogP / Solubility
WLOGP
3.67
MLOGP
3.25
XLogP3
3.4
Consensus LogP
3.44
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
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
Yes
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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