![CAS 304456-62-0 2-{[(5-bromo-2-thienyl)methylene]amino}benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/304456-62-0(2).gif)
CAS RN: 304456-62-0
2-{[(5-bromo-2-thienyl)methylene]amino}benzamide
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS304456-62-0
- Purity/Analytical Methods: >99.0%
304456-62-0 / 2-[(5-bromothiophen-2-yl)methylideneamino]benzamide
Basic Information
CAS
304456-62-0
Multi CAS
No
Molecular Formula
BC12H9ORn2S
Molecular Weight
309.180000
Exact Mass
307.961900
InChI
InChI=1S/C12H9BrN2OS/c13-11-6-5-8(17-11)7-15-10-4-2-1-3-9(10)12(14)16/h1-7H,(H2,14,16)
InChIKey
OZEADOPONHLEDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.23
TPSA
55.45
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
3.1
Consensus LogP
3.14
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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
No
Log Kp (skin permeation)
-2.22
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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![CAS 304468-42-6 5′-Bromospiro[cyclohexane-1,3′-indol]-2′(1’H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/304468-42-6(2).gif)
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