CAS RN: 1807943-38-9
SMS1-IN-1
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250412 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1807943-38-9
- Purity/Analytical Methods: >99.0%
1807943-38-9 / N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
Basic Information
CAS
1807943-38-9
Multi CAS
No
Molecular Formula
C23H23BrN2O4S
Molecular Weight
503.400000
Exact Mass
502.056190
SMILES
C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)
InChIKey
CZAFIFBJBFDMTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
123.26
TPSA
84.5
LogP / Solubility
WLOGP
3.67
MLOGP
3.26
XLogP3
4.3
Consensus LogP
3.74
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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