![CAS 1449401-87-9 8-Bromo-5-phenyl-5H-pyrido[3,2-b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5640-jpgcontextbwfzdgvyfhjvb3r8mji3mzj8aw1hz2uvanblz3xonjavadvhlzkxndc2nza0nji0otqvqju2ndauanbnfdfhngeznzuxyjcxzdc4mtljmwq2y2y4oty0ndy5njaxogewnzg5ywm2yzy2ythiythjzjfkogfjn2vhyme1odk.jpeg)
CAS RN: 1449401-87-9
8-Bromo-5-phenyl-5H-pyrido[3,2-b]indole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260521 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-056319
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1449401-87-9 / 8-bromo-5-phenylpyrido[3,2-b]indole
Basic Information
CAS
1449401-87-9
Multi CAS
No
Molecular Formula
C17H11BrN2
Molecular Weight
323.200000
Exact Mass
322.010560
SMILES
C1=CC=C(C=C1)N2C3=C(C4=C2C=CC(=C4)Br)N=CC=C3
InChI
InChI=1S/C17H11BrN2/c18-12-8-9-15-14(11-12)17-16(7-4-10-19-17)20(15)13-5-2-1-3-6-13/h1-11H
InChIKey
GDDKUPWTOMOOMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
86.28
TPSA
17.82
LogP / Solubility
WLOGP
4.94
MLOGP
4.36
XLogP3
4.7
Consensus LogP
4.67
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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