CAS RN: 587850-67-7
4-AMINO-N-(2-PHENYLETHYL)BENZENESULFONAMIDE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 10mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS587850-67-7
- Purity/Analytical Methods: >99.0%
587850-67-7 / 4-amino-N-(2-phenylethyl)benzenesulfonamide
Basic Information
CAS
587850-67-7
Multi CAS
No
Molecular Formula
C14H16N2O2S
Molecular Weight
276.360000
Exact Mass
276.093249
InChI
InChI=1S/C14H16N2O2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11,15H2
InChIKey
BYWZPUPRVIECEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
76.19
TPSA
72.19
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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