CAS RN: 916440-85-2
7BIO
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250211 | 10mg / 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS916440-85-2
- Purity/Analytical Methods: >99.0%
916440-85-2 / 7-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Basic Information
CAS
916440-85-2
Multi CAS
No
Molecular Formula
BC16H10O2Rn3
Molecular Weight
356.170000
Exact Mass
354.995640
InChI
InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
InChIKey
HYMACPDEJIEMST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
90.41
TPSA
81.24
LogP / Solubility
WLOGP
5.18
MLOGP
4.58
XLogP3
3.9
Consensus LogP
4.55
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble
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)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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