CAS RN: 349398-73-8
349398-73-8
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.20250417 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS349398-73-8
- Purity/Analytical Methods: >99.0%
349398-73-8 / 4-bromo-N-(2,5-dimethoxyphenyl)benzenesulfonamide
Basic Information
CAS
349398-73-8
Multi CAS
No
Molecular Formula
BC14H14O4RnS
Molecular Weight
372.240000
Exact Mass
370.982690
InChI
InChI=1S/C14H14BrNO4S/c1-19-11-5-8-14(20-2)13(9-11)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,1-2H3
InChIKey
ZEBDFKTXFLEVPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.5
TPSA
64.63
LogP / Solubility
WLOGP
3.27
MLOGP
2.9
XLogP3
2.9
Consensus LogP
3.02
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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