CAS RN: 188480-50-4
SCH-53870
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.20250815 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS188480-50-4
- Purity/Analytical Methods: >99.0%
188480-50-4 / 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
Basic Information
CAS
188480-50-4
Multi CAS
No
Molecular Formula
C18H18N2O4S
Molecular Weight
358.400000
Exact Mass
358.098728
SMILES
C1=CC=C2C=C(C=CC2=C1)OCCNS(=O)(=O)C3=CC=C(C=C3)NO
InChI
InChI=1S/C18H18N2O4S/c21-20-16-6-9-18(10-7-16)25(22,23)19-11-12-24-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13,19-21H,11-12H2
InChIKey
WPPIAVCIUZNQCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
96.48
TPSA
87.66
LogP / Solubility
WLOGP
3
MLOGP
2.66
XLogP3
3.3
Consensus LogP
2.99
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
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
2.5
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