CAS RN: 1191252-49-9
iOWH-032
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 100mg | Out of stock | Inquiry | |
| Batchno.20251210 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260127 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251211 | 1g | Out of stock | Inquiry | |
| Batchno.20260416 | 250mg | Out of stock | Inquiry | |
| Batchno.20260504 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250903 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1191252-49-9
- Purity/Analytical Methods: >99.0%
1191252-49-9 / 3-(3,5-dibromo-4-hydroxyphenyl)-N-[(4-phenoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
iOWH-032 | IOWH032 | 8Y3GDT6YWV
Basic Information
CAS
1191252-49-9
Multi CAS
No
Molecular Formula
C22H15Br2N3O4
Molecular Weight
545.200000
Exact Mass
544.940880
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br
InChI
InChI=1S/C22H15Br2N3O4/c23-17-10-14(11-18(24)19(17)28)20-26-22(31-27-20)21(29)25-12-13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-11,28H,12H2,(H,25,29)
InChIKey
DSFNLJXHXBIKDS-UHFFFAOYSA-N
Synonyms
iOWH-032
IOWH032
8Y3GDT6YWV
RefChem:148609
3-(3,5-Dibromo-4-hydroxyphenyl)-N-(4-phenoxybenzyl)-1,2,4-oxadiazole-5-carboxamide
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
120.93
TPSA
97.48
LogP / Solubility
WLOGP
5.69
MLOGP
5.05
XLogP3
5.5
Consensus LogP
5.41
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
3
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